Table 1 The overlooked reaction combinations using DMF

From: An active representation learning method for reaction yield prediction with small-scale data

Entry

Chloro compounds

Alkenes

LB-BH3

Solvents

Yield (%)

Predicted

Observed

1

a2

b6

c2

DMF

-

<5

2

a3

b3

c3

DMF

5.07

<5

3

a3

b1

c3

DMF

39.33

49

4

a1

b1

c1

DMF

59.80

43

5

a1

b2

c1

DMF

57.01

31

6

a1

b1

c3

DMF

44.68

16

7

a2

b2

c3

DMF

43.23

18

  1. Entry “1” is the infeasible reaction combination reported in the past46. Entry “2”-“7” are our validated reaction combinations with DMF as solvent.
Back to article page