Bromide ion → 1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-dimethylphenyl)pyrrolidine

HRID 690017

Reaction equation

HRID 690017 reaction equation
[Br-:67].[CH2:61]([O:62][CH2:63][CH2:64][Cl:65])[CH3:66].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([c:13]3[cH:14][c:15]([CH3:20])[c:16]([CH3:19])[cH:17][cH:18]3)([CH2:21][CH2:22][N:23]3[CH2:24][CH2:25][CH:26]([NH:29][c:30]4[n:31][c:32]5[c:33]([nH:34]4)[cH:35][cH:36][cH:37][cH:38]5)[CH2:27][CH2:28]3)[CH2:11][CH2:12]2)[cH:39][c:40]([O:44][CH3:45])[c:41]1[O:42][CH3:43].[CH3:51][Si:52]([N-:53][Si:54]([CH3:55])([CH3:56])[CH3:57])([CH3:58])[CH3:59].[CH3:68][CH2:69][CH2:70][CH2:71][N+:72]([CH2:73][CH2:74][CH2:75][CH3:76])([CH2:77][CH2:78][CH2:79][CH3:80])[CH2:81][CH2:82][CH2:83][CH3:84].[Cl:85][CH2:86][Cl:87].[K+:60].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([c:13]3[cH:14][c:15]([CH3:20])[c:16]([CH3:19])[cH:17][cH:18]3)([CH2:21][CH2:22][N:23]3[CH2:24][CH2:25][CH:26]([NH:29][c:30]4[n:31]([CH2:48][CH2:47][O:46][CH2:50][CH3:49])[c:32]5[c:33]([n:34]4)[cH:35][cH:36][cH:37][cH:38]5)[CH2:27][CH2:28]3)[CH2:11][CH2:12]2)[cH:39][c:40]([O:44][CH3:45])[c:41]1[O:42][CH3:43]

Participants

9

Reactant 8

HCID 259Bromide ionHCID 813Potassium CationHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 12341Ethane, 1-chloro-2-ethoxy-HCID 16028TetrabutylammoniumHCID 3280088Npc316347HCID 99388361-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-dimethylphenyl)pyrrolidine

Product 1

HCID 98313851-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-dimethylphenyl)pyrrolidine

Sources & evidence

ORD record
ord-96d7dbaac2b449f59e35686fe2867d78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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