Ethanol → 6-(4-{[4-(2-methyl-1H-benzimidazol-1-yl)piperidin-1-yl]methyl}phenyl)-5-phenylpyridine-2,3-diamine
Reaction equation
[CH3:1][c:2]1[n:3][c:4]2[c:5]([n:6]1[CH:7]1[CH2:8][CH2:9][N:10]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21](-[c:30]5[cH:31][cH:32][cH:33][cH:34][cH:35]5)[cH:22][c:23]([N+:27]([O-:28])=[O:29])[c:24]([NH2:26])[n:25]4)[cH:18][cH:19]3)[CH2:11][CH2:12]1)[cH:36][cH:37][cH:38][cH:39]2.[CH3:42][CH2:43][OH:44].[H:40][H:41]>>[CH3:1][c:2]1[n:3][c:4]2[c:5]([n:6]1[CH:7]1[CH2:8][CH2:9][N:10]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21](-[c:30]5[cH:31][cH:32][cH:33][cH:34][cH:35]5)[cH:22][c:23]([NH2:27])[c:24]([NH2:26])[n:25]4)[cH:18][cH:19]3)[CH2:11][CH2:12]1)[cH:36][cH:37][cH:38][cH:39]2Participants
4
Sources & evidence
- ORD record
- ord-1976d3fcc80a4decb8ea718e146ad47b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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