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

HRID 162713Notes

Reaction equation

HRID 162713 reaction equation
[C:36]([O:37][C:38]([C:39](=[O:40])[c:41]1[cH:42][cH:43][c:44]([O:45][CH3:46])[cH:47][cH:48]1)([CH:49]([C:50]([OH:51])=[O:52])[OH:53])[C:54]([OH:55])=[O:56])(=[O:57])[c:58]1[cH:59][cH:60][c:61]([O:62][CH3:63])[cH:64][cH:65]1.[CH2:2]([CH3:3])[O:4][CH2:5][CH2:6][n:7]1[c:8]([N:16]2[CH2:17][CH2:18][N:19]([CH2:23][CH2:24][C:25]3([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[CH2:26][NH:27][CH2:28][CH2:29]3)[CH2:20][CH2:21][CH2:22]2)[n:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2.[CH3:80][O:81][c:82]1[c:83]([C:84](=[O:85])[OH:86])[cH:87][c:88](-[n:91]2[n:92][n:93][n:94][c:95]2[C:96]([F:97])([F:98])[F:99])[cH:89][cH:90]1.[ClH:1].[c:66]1([C:67]2([CH2:68][CH2:69][OH:70])[CH2:71][CH2:72][NH:73][CH2:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1>>[CH2:2]([CH3:3])[O:4][CH2:5][CH2:6][n:7]1[c:8]([N:16]2[CH2:17][CH2:18][N:19]([CH2:23][CH2:24][C:25]3([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[CH2:26][N:27]([C:84]([c:83]4[c:82]([O:81][CH3:80])[cH:90][cH:89][c:88](-[n:91]5[n:92][n:93][n:94][c:95]5[C:96]([F:97])([F:98])[F:99])[cH:87]4)=[O:85])[CH2:28][CH2:29]3)[CH2:20][CH2:21][CH2:22]2)[n:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 184645642-(3-Phenylpyrrolidin-3-yl)ethanolHCID 184646042-methoxy-5-(5-trifluoromethyl-1H-tetrazol-1-yl)benzoic acidHCID 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 184647491-(2-Methoxy-5-(5-trifluoromethyl-1H-tetrazol-1-yl)benzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidine

Sources & evidence

ORD record
ord-fafbbb31e8e241d3999589d6d576a935
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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