Bicarbonate Ion → methyl 3-{4-[(4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methoxy}benzyl)amino]phenyl}propanoate
Reaction equation
[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH2:14][O:15][c:16]3[cH:17][cH:18][c:19]([CH2:20][N:21]([c:22]4[cH:23][cH:24][c:25]([CH2:28][CH2:29][C:30](=[O:31])[O:32][CH3:33])[cH:26][cH:27]4)[S:34]([c:35]4[cH:36][cH:37][cH:38][cH:39][c:40]4[N+:41]([O-:42])=[O:43])(=[O:44])=[O:45])[cH:46][cH:47]3)[cH:10][n:11][n:12]2[CH3:13])[cH:6][cH:7]1.[Li+:55].[Na+:56].[OH-:54].[OH2:53].[OH:57][C:58](=[O:59])[O-:60].[SH:48][CH2:49][C:50]([OH:51])=[O:52]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH2:14][O:15][c:16]3[cH:17][cH:18][c:19]([CH2:20][NH:21][c:22]4[cH:23][cH:24][c:25]([CH2:28][CH2:29][C:30](=[O:31])[O:32][CH3:33])[cH:26][cH:27]4)[cH:46][cH:47]3)[cH:10][n:11][n:12]2[CH3:13])[cH:6][cH:7]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-22c0150467874b64bf25563fcd24410e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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