Hydrochloric Acid → 4-[4-(Methylthio)phenyl]-5,6-diphenyl-2-(trifluoromethyl)pyrimidine
Reaction equation
[BH:30]([OH:31])[OH:32].[C:24](=[O:25])([O-:26])[O-:27].[CH3:33][S:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:1][c:2]1[n:3][c:4]([C:20]([F:21])([F:22])[F:23])[n:5][c:6](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:7]1-[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[ClH:41].[K+:28].[K+:29]>>[c:2]1(-[c:38]2[cH:37][cH:36][c:35]([S:34][CH3:33])[cH:40][cH:39]2)[n:3][c:4]([C:20]([F:21])([F:22])[F:23])[n:5][c:6](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:7]1-[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1Participants
8
Sources & evidence
- ORD record
- ord-9f8822a2272d455b929802ae3a3e371f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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