Acetonitrile → 2-{[Bis-(3-methyl-pyridin-2-ylmethyl)-amino]-methyl}-5-cyano-benzoic acid methyl ester
Reaction equation
[CH3:18][O:19][C:20]([c:21]1[c:22]([CH2:29][Br:30])[cH:23][cH:24][c:25]([C:27]#[N:28])[cH:26]1)=[O:31].[CH3:1][c:2]1[c:3]([CH2:8][NH:9][CH2:10][c:11]2[n:12][cH:13][cH:14][cH:15][c:16]2[CH3:17])[n:4][cH:5][cH:6][cH:7]1.[CH3:41][C:42]#[N:43].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40]>>[CH3:1][c:2]1[c:3]([CH2:8][N:9]([CH2:10][c:11]2[n:12][cH:13][cH:14][cH:15][c:16]2[CH3:17])[CH2:29][c:22]2[c:21]([C:20]([O:19][CH3:18])=[O:31])[cH:26][c:25]([C:27]#[N:28])[cH:24][cH:23]2)[n:4][cH:5][cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-1307a1117231452e88e227a0c4a547b6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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