Hydrochloric Acid → 1-(2-chloro-3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidine

HRID 699190Notes

Reaction equation

HRID 699190 reaction equation
[C:52]([O:53][C:54]([C:55](=[O:56])[c:57]1[cH:58][cH:59][c:60]([O:61][CH3:62])[cH:63][cH:64]1)([CH:65]([C:66]([OH:67])=[O:68])[OH:69])[C:70]([OH:71])=[O:72])(=[O:73])[c:74]1[cH:75][cH:76][c:77]([O:78][CH3:79])[cH:80][cH:81]1.[CH2:18]([CH3:19])[O:20][CH2:21][CH2:22][n:23]1[c:24]([N:32]2[CH2:33][CH2:34][N:35]([CH2:39][CH2:40][C:41]3([c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[CH2:42][NH:43][CH2:44][CH2:45]3)[CH2:36][CH2:37][CH2:38]2)[n:25][c:26]2[c:27]1[cH:28][cH:29][cH:30][cH:31]2.[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([O:15][CH3:16])[c:9]([O:13][CH3:14])[c:10]1[O:11][CH3:12].[ClH:17].[c:82]1([C:83]2([CH2:84][CH2:85][OH:86])[CH2:87][CH2:88][NH:89][CH2:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[N:43]2[CH2:42][C:41]([CH2:40][CH2:39][N:35]3[CH2:34][CH2:33][N:32]([c:24]4[n:23]([CH2:22][CH2:21][O:20][CH2:18][CH3:19])[c:27]5[c:26]([n:25]4)[cH:31][cH:30][cH:29][cH:28]5)[CH2:38][CH2:37][CH2:36]3)([c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[CH2:45][CH2:44]2)[cH:7][c:8]([O:15][CH3:16])[c:9]([O:13][CH3:14])[c:10]1[O:11][CH3:12]

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 184645642-(3-Phenylpyrrolidin-3-yl)ethanolHCID 184646773-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidineHCID 184647142-chloro-3,4,5-trimethoxybenzoic AcidHCID 534427013-Hydroxy-2-(4-methoxybenzoyl)-2-(4-methoxybenzoyl)oxybutanedioic acid

Product 1

HCID 184647371-(2-chloro-3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidine

Sources & evidence

ORD record
ord-53f3c880d4af4f19bfcd384a18a9ba24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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