Bicarbonate Ion → 1-Benzoyl-3-[2-[4-[1-(4-fluoro-benzyl)-1 H-benzoimidazol-2-yl]-4-hydroxy-piperidin-1-yl]-ethyl]-3-(3,4-dimethoxy-phenyl)-pyrrolidine

HRID 188459Notes

Reaction equation

HRID 188459 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:54](=[O:55])([OH:56])[O-:57].[Cl:59][CH2:60][Cl:61].[F:30][c:31]1[cH:32][cH:33][c:34]([CH2:35][n:36]2[c:37]([C:45]3([OH:51])[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]3)[n:38][c:39]3[c:40]2[cH:41][cH:42][cH:43][cH:44]3)[cH:52][cH:53]1.[Na+:58].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[OH2:62]>>[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:48]2[CH2:47][CH2:46][C:45]([c:37]3[n:36]([CH2:35][c:34]4[cH:33][cH:32][c:31]([F:30])[cH:53][cH:52]4)[c:40]4[c:39]([n:38]3)[cH:44][cH:43][cH:42][cH:41]4)([OH:51])[CH2:50][CH2:49]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]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 155428841-Benzoyl-3-(3,4-dimethoxy-phenyl)-3-(2-methanesulfonyl-ethyl)-pyrrolidineHCID 155428854-(1-(4-fluorobenzyl)-1H-benzoimidazol-2-yl)-4-hydroxypiperidine

Product 1

HCID 101463851-Benzoyl-3-[2-[4-[1-(4-fluoro-benzyl)-1 H-benzoimidazol-2-yl]-4-hydroxy-piperidin-1-yl]-ethyl]-3-(3,4-dimethoxy-phenyl)-pyrrolidine

Sources & evidence

ORD record
ord-7515a75b026b42da81a2d4299ac0e1f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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