Diethyl (4-{[4-{[4-bromo-2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate → Diethyl(4-{[4-{[4-{1-[2-(diethylamino)ethyl]-1H-pyrazol-4-yl}-2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:35]([NH:36][CH3:37])=[O:38])[c:5]([NH:8][c:9]2[n:10][c:11]([NH:19][c:20]3[cH:21][cH:22][c:23]([CH2:24][P:25]([O:26][CH2:27][CH3:28])([O:29][CH2:30][CH3:31])=[O:32])[cH:33][cH:34]3)[n:12][cH:13][c:14]2[C:15]([F:16])([F:17])[F:18])[cH:6][cH:7]1.[CH2:39]([CH3:40])[N:41]([CH2:42][CH2:43][n:44]1[n:45][cH:46][c:47]([B:49]2[O:50][C:51]([CH3:52])([CH3:53])[C:54]([CH3:55])([CH3:56])[O:57]2)[cH:48]1)[CH2:58][CH3:59]>>[c:2]1(-[c:47]2[cH:46][n:45][n:44]([CH2:43][CH2:42][N:41]([CH2:39][CH3:40])[CH2:58][CH3:59])[cH:48]2)[cH:3][c:4]([C:35]([NH:36][CH3:37])=[O:38])[c:5]([NH:8][c:9]2[n:10][c:11]([NH:19][c:20]3[cH:21][cH:22][c:23]([CH2:24][P:25]([O:26][CH2:27][CH3:28])([O:29][CH2:30][CH3:31])=[O:32])[cH:33][cH:34]3)[n:12][cH:13][c:14]2[C:15]([F:16])([F:17])[F:18])[cH:6][cH:7]1Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-9193cf4e4a0e43fcb1c42f1b17cc0d84
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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