Hydrochloric Acid → 3-difluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide
Reaction equation
[C:44](=[O:45])([O-:46])[OH:47].[CH3:1][c:2]1[c:3]([NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[c:16]3[cH:17][n:18][cH:19][n:20][cH:21]3)[n:15]2)[cH:4][c:5]([NH2:6])[cH:7][cH:8]1.[ClH:22].[F:23][CH:24]([c:25]1[cH:26][c:27]([C:28](=[O:29])[Cl:30])[cH:31][cH:32][c:33]1[CH2:34][N:35]1[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]1)[F:42].[Na+:48].[OH2:43].[cH:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1>>[CH3:1][c:2]1[c:3]([NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[c:16]3[cH:17][n:18][cH:19][n:20][cH:21]3)[n:15]2)[cH:4][c:5]([NH:6][C:28]([c:27]2[cH:26][c:25]([CH:24]([F:23])[F:42])[c:33]([CH2:34][N:35]3[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]3)[cH:32][cH:31]2)=[O:29])[cH:7][cH:8]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-2a834cdfc01e4275bb2dd419e4b9374c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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