Hydrogen Bromide → 2-Amino-5-[1-tert-butyl-2-(2-1,2,4-triazol-1-yl-phenyl)-1H-benzimidazol-5-yl]-3H-pyrimidin-4-one
Reaction equation
[BrH:39].[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[c:6](-[c:23]2[c:24](-[n:29]3[n:30][cH:31][n:32][cH:33]3)[cH:25][cH:26][cH:27][cH:28]2)[n:7][c:8]2[c:9]1[cH:10][cH:11][c:12](-[c:14]1[c:15]([O:21][CH3:22])[n:16][c:17]([NH2:20])[n:18][cH:19]1)[cH:13]2.[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[c:6](-[c:23]2[c:24](-[n:29]3[n:30][cH:31][n:32][cH:33]3)[cH:25][cH:26][cH:27][cH:28]2)[n:7][c:8]2[c:9]1[cH:10][cH:11][c:12](-[c:14]1[c:15](=[O:21])[nH:16][c:17]([NH2:20])[n:18][cH:19]1)[cH:13]2Participants
4
Sources & evidence
- ORD record
- ord-4a6f8a9b7caa4e18b66609c2198b9113
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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