Methanol → [5-{[2-({4-[(Diethoxyphosphoryl)methyl]-2-methoxyphenyl}amino)-5-(trifluoromethyl)pyrimidin-4-yl]amino}-3-methyl-4-oxoquinolin-1(4H)-yl]acetic acid
Reaction equation
[CH2:1]([CH3:2])[CH:3]([C:4](=[O:5])[O-:6])[n:7]1[cH:8][c:9]([CH3:47])[c:10](=[O:46])[c:11]2[c:12]([NH:17][c:18]3[n:19][c:20]([NH:28][c:29]4[c:30]([O:44][CH3:45])[cH:31][c:32]([CH2:35][P:36](=[O:37])([O:38][CH2:39][CH3:40])[O:41][CH2:42][CH3:43])[cH:33][cH:34]4)[n:21][cH:22][c:23]3[C:24]([F:25])([F:26])[F:27])[cH:13][cH:14][cH:15][c:16]12.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:56][OH:57].[Li+:54].[OH-:53].[OH2:55]>>[CH2:3]([C:4](=[O:5])[OH:6])[n:7]1[cH:8][c:9]([CH3:47])[c:10](=[O:46])[c:11]2[c:12]([NH:17][c:18]3[n:19][c:20]([NH:28][c:29]4[c:30]([O:44][CH3:45])[cH:31][c:32]([CH2:35][P:36](=[O:37])([O:38][CH2:39][CH3:40])[O:41][CH2:42][CH3:43])[cH:33][cH:34]4)[n:21][cH:22][c:23]3[C:24]([F:25])([F:26])[F:27])[cH:13][cH:14][cH:15][c:16]12Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-f9504a33078c42a687f20cc6baf54a60
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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