Hydrochloric Acid → 1-(9-{4-[3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido]phenyl}-9H-purin-6-yl)-3-cyclohexylurea
Reaction equation
[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.[O:33]=[C:34]=[N:35][CH:36]1[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]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:34](=[O:33])[NH:35][CH:36]1[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1Participants
4
Sources & evidence
- ORD record
- ord-a26bfe3a14a646cb97859951286b3665
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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