Bicarbonate Ion → (1-{2-[1-Benzoyl-3-(3,4-dimethoxy-phenyl)-pyrrolidin-3-yl]-ethyl}-piperidin-4-yl)-[1-(4-fluoro-benzyl)-1H-benzoimidazol-2-yl]-methanone
Reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH2:10][C:11]([CH2:14][CH2:15][S:16]([CH3:17])(=[O:18])=[O:19])([c:20]2[cH:21][c:22]([O:28][CH3:29])[c:23]([O:26][CH3:27])[cH:24][cH:25]2)[CH2:12][CH2:13]1.[C:55](=[O:56])([OH:57])[O-:58].[Cl:60][CH2:61][Cl:62].[F:30][c:31]1[cH:32][cH:33][c:34]([CH2:35][n:36]2[c:37]([C:45](=[O:46])[CH:47]3[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]3)[n:38][c:39]3[c:40]2[cH:41][cH:42][cH:43][cH:44]3)[cH:53][cH:54]1.[Na+:59].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[OH2:63]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH2:10][C:11]([CH2:14][CH2:15][N:50]2[CH2:49][CH2:48][CH:47]([C:45]([c:37]3[n:36]([CH2:35][c:34]4[cH:33][cH:32][c:31]([F:30])[cH:54][cH:53]4)[c:40]4[c:39]([n:38]3)[cH:44][cH:43][cH:42][cH:41]4)=[O:46])[CH2:52][CH2:51]2)([c:20]2[cH:21][c:22]([O:28][CH3:29])[c:23]([O:26][CH3:27])[cH:24][cH:25]2)[CH2:12][CH2:13]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-8b177b26708c471e90e5c91949d4d5aa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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