Hydrochloric Acid → 4-((4-((4-(2-Bromoethoxy)benzyl)amino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)benzoic acid
Reaction equation
[Br:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][NH:10][c:11]2[n:12][c:13]([NH:23][c:24]3[cH:25][cH:26][c:27]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[cH:35][cH:36]3)[n:14][c:15]([O:17][CH2:18][C:19]([F:20])([F:21])[F:22])[n:16]2)[cH:37][cH:38]1.[ClH:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1>>[Br:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][NH:10][c:11]2[n:12][c:13]([NH:23][c:24]3[cH:25][cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:35][cH:36]3)[n:14][c:15]([O:17][CH2:18][C:19]([F:20])([F:21])[F:22])[n:16]2)[cH:37][cH:38]1Participants
4
Sources & evidence
- ORD record
- ord-19616aed90ef4641ad565e160681b386
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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