Hydrochloric Acid → 1-Allyl-3-(9-{4-[3-(4-chloro-3-(trifluoromethyl)phenyl)ureido]phenyl}-9H-purin-6-yl)urea
Reaction equation
[CH2:33]([CH:34]=[CH2:35])[N:36]=[C:37]=[O:38].[ClH:1].[NH2:2][c:3]1[c:4]2[n:5][cH:6][n:7](-[c:12]3[cH:13][cH:14][c:15]([NH:18][C:19](=[O:20])[NH:21][c:22]4[cH:23][c:24]([C:29]([F:30])([F:31])[F:32])[c:25]([Cl:28])[cH:26][cH:27]4)[cH:16][cH:17]3)[c:8]2[n:9][cH:10][n:11]1>>[NH:2]([c:3]1[c:4]2[n:5][cH:6][n:7](-[c:12]3[cH:13][cH:14][c:15]([NH:18][C:19](=[O:20])[NH:21][c:22]4[cH:23][c:24]([C:29]([F:30])([F:31])[F:32])[c:25]([Cl:28])[cH:26][cH:27]4)[cH:16][cH:17]3)[c:8]2[n:9][cH:10][n:11]1)[C:37]([NH:36][CH2:33][CH:34]=[CH2:35])=[O:38]Participants
4
Sources & evidence
- ORD record
- ord-542652e183ed4b8aa424ea50ca1a248f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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