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

HRID 144225Notes

Reaction equation

HRID 144225 reaction equation
[C:51]([O:52][C:53]([C:54](=[O:55])[c:56]1[cH:57][cH:58][c:59]([O:60][CH3:61])[cH:62][cH:63]1)([CH:64]([C:65]([OH:66])=[O:67])[OH:68])[C:69]([OH:70])=[O:71])(=[O:72])[c:73]1[cH:74][cH:75][c:76]([O:77][CH3:78])[cH:79][cH:80]1.[CH2:17]([CH3:18])[O:19][CH2:20][CH2:21][n:22]1[c:23]([N:31]2[CH2:32][CH2:33][N:34]([CH2:38][CH2:39][C:40]3([c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[CH2:41][NH:42][CH2:43][CH2:44]3)[CH2:35][CH2:36][CH2:37]2)[n:24][c:25]2[c:26]1[cH:27][cH:28][cH:29][cH:30]2.[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([NH:12][C:13]([CH3:14])=[O:15])[cH:10][cH:11]1.[ClH:16].[c:81]1([C:82]2([CH2:83][CH2:84][OH:85])[CH2:86][CH2:87][NH:88][CH2:89]2)[cH:90][cH:91][cH:92][cH:93][cH:94]1>>[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:7])[N:42]2[CH2:41][C:40]([CH2:39][CH2:38][N:34]3[CH2:33][CH2:32][N:31]([c:23]4[n:22]([CH2:21][CH2:20][O:19][CH2:17][CH3:18])[c:26]5[c:25]([n:24]4)[cH:30][cH:29][cH:28][cH:27]5)[CH2:37][CH2:36][CH2:35]3)([c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[CH2:44][CH2:43]2)[cH:8][c:9]([NH:12][C:13]([CH3:14])=[O:15])[cH:10][cH:11]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 184644235-Acetamido-2-methoxybenzoic 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 534427013-Hydroxy-2-(4-methoxybenzoyl)-2-(4-methoxybenzoyl)oxybutanedioic acid

Product 1

HCID 184647691-(2-Methoxy-5-acetamidobenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidine

Sources & evidence

ORD record
ord-946fbe14b4a64f8e9cb1ae8117c64a50
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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