Hydrogen iodide → (+)-1-(2,3,4-Trimethoxybenzoyl)-3-(2-(4-(1(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidine

HRID 209341Notes

Reaction equation

HRID 209341 reaction equation
[CH2:34]([CH3:35])[O:36][CH2:37][CH2:38][n:39]1[c:40]([N:48]2[CH2:49][CH2:50][NH:51][CH2:52][CH2:53][CH2:54]2)[n:41][c:42]2[c:43]1[cH:44][cH:45][cH:46][cH:47]2.[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[N:7]2[CH2:8][C:9]([CH2:12][CH2:13][O:14][S:15]([CH3:16])(=[O:17])=[O:18])([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:10][CH2:11]2)[cH:25][cH:26][c:27]([O:31][CH3:32])[c:28]1[O:29][CH3:30].[IH:33]>>[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[N:7]2[CH2:8][C:9]([CH2:12][CH2:13][N:51]3[CH2:50][CH2:49][N:48]([c:40]4[n:39]([CH2:38][CH2:37][O:36][CH2:34][CH3:35])[c:43]5[c:42]([n:41]4)[cH:47][cH:46][cH:45][cH:44]5)[CH2:54][CH2:53][CH2:52]3)([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:10][CH2:11]2)[cH:25][cH:26][c:27]([O:31][CH3:32])[c:28]1[O:29][CH3:30]

Participants

4

Reactant 3

HCID 24841Hydrogen iodideHCID 9984168Emedastine EP Impurity EHCID 184647571-(2,3,4-Trimethoxybenzoyl)-3-phenyl-3-(2-methanesulfonyloxyethyl)pyrrolidine

Product 1

HCID 18464761(+)-1-(2,3,4-Trimethoxybenzoyl)-3-(2-(4-(1(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidine

Sources & evidence

ORD record
ord-eb61ed7ff78442458d6dab15b0d72d8e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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