Water → Diethyl (4-{[4-{[6-(trans-4-hydroxycyclohexyl)-2-(methylcarbamoyl)pyridin-3-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate
Reaction equation
[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[cH:11][c:12]([O:28][CH3:29])[c:13]([NH:16][c:17]2[n:18][cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[c:21]([Cl:23])[n:22]2)[cH:14][cH:15]1.[NH2:30][c:31]1[c:32]([C:44](=[O:45])[NH:46][CH3:47])[n:33][c:34]([CH:37]2[CH2:38][CH2:39][CH:40]([OH:43])[CH2:41][CH2:42]2)[cH:35][cH:36]1.[OH2:48]>>[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[cH:11][c:12]([O:28][CH3:29])[c:13]([NH:16][c:17]2[n:18][cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[c:21]([NH:30][c:31]3[c:32]([C:44](=[O:45])[NH:46][CH3:47])[n:33][c:34]([CH:37]4[CH2:38][CH2:39][CH:40]([OH:43])[CH2:41][CH2:42]4)[cH:35][cH:36]3)[n:22]2)[cH:14][cH:15]1Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-b3bdfdec4c49483a8e09cec6a77764fc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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