Acetonitrile → 5-Cyano-2-{[(3-isopropyl-pyridin-2-ylmethyl)-(3-methyl-pyridin-2-ylmethyl)-amino]-methyl}-benzoic acid methyl ester
Reaction equation
[CH3:20][O:21][C:22]([c:23]1[c:24]([CH2:31][Br:32])[cH:25][cH:26][c:27]([C:29]#[N:30])[cH:28]1)=[O:33].[CH3:43][C:44]#[N:45].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([CH2:10][NH:11][CH2:12][c:13]2[n:14][cH:15][cH:16][cH:17][c:18]2[CH3:19])[n:6][cH:7][cH:8][cH:9]1.[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([CH2:10][N:11]([CH2:12][c:13]2[n:14][cH:15][cH:16][cH:17][c:18]2[CH3:19])[CH2:31][c:24]2[c:23]([C:22]([O:21][CH3:20])=[O:33])[cH:28][c:27]([C:29]#[N:30])[cH:26][cH:25]2)[n:6][cH:7][cH:8][cH:9]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-c8552d4c29b14195849dd6298e39bf20
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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