Toluene → 2-Amino-6-(2-cyanoethyl)-nicotinic acid methyl ester
Reaction equation
[C-:14]#[N:15].[CH2:16]([Al+:17][CH2:18][CH3:19])[CH3:20].[CH3:1][O:2][C:3]([c:4]1[c:5]([NH2:12])[n:6][c:7]([CH:10]=[CH2:11])[cH:8][cH:9]1)=[O:13].[CH3:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[O:28]1[CH2:29][CH2:30][CH2:31][CH2:32]1>>[CH3:1][O:2][C:3]([c:4]1[c:5]([NH2:12])[n:6][c:7]([CH2:10][CH2:11][C:14]#[N:15])[cH:8][cH:9]1)=[O:13]Participants
6
Sources & evidence
- ORD record
- ord-e02a2820c1ba4d2c8d474d9777d5723a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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