Bicarbonate Ion → 2-(5-{4'-[2-(1-Boc-pyrrolidin-3-yl)-3H-imidazol-4-yl]-biphenyl-4-yl}-1H-imidazol-2-yl)-pyrrolidine-1-carboxylic acid tert-butyl ester

HRID 319386Notes

Reaction equation

HRID 319386 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([c:13]2[nH:14][c:15](-[c:18]3[cH:19][cH:20][c:21]([Br:24])[cH:22][cH:23]3)[cH:16][n:17]2)[CH2:11][CH2:12]1.[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[N:32]1[CH:33]([c:37]2[nH:38][c:39](-[c:42]3[cH:43][cH:44][c:45]([B:48]4[O:49][C:50]([CH3:51])([CH3:52])[C:53]([CH3:54])([CH3:55])[O:56]4)[cH:46][cH:47]3)[cH:40][n:41]2)[CH2:34][CH2:35][CH2:36]1.[CH3:62][O:63][CH2:64][CH2:65][O:66][CH3:67].[Na+:61].[O-:57][C:58]([OH:59])=[O:60].[OH2:68]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([c:13]2[nH:14][c:15](-[c:18]3[cH:19][cH:20][c:21](-[c:45]4[cH:44][cH:43][c:42](-[c:39]5[nH:38][c:37]([CH:33]6[N:32]([C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:31])[CH2:36][CH2:35][CH2:34]6)[n:41][cH:40]5)[cH:47][cH:46]4)[cH:22][cH:23]3)[cH:16][n:17]2)[CH2:11][CH2:12]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 574497592-{4-[4-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl)phenyl]-1h-imidazol-2-yl}pyrrolidine-1-carboxylic acid tert-butyl esterHCID 59611262tert-Butyl 3-(5-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate

Product 1

HCID 666202612-(5-{4'-[2-(1-Boc-pyrrolidin-3-yl)-3H-imidazol-4-yl]-biphenyl-4-yl}-1H-imidazol-2-yl)-pyrrolidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-b04ba2c051bb44d5941f0f4d97f742f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…