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

HRID 664122Notes

Reaction equation

HRID 664122 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.[CH2:119]([N:120]=[C:121]=[N:122][CH2:123][CH2:124][CH2:125][N:126]([CH3:127])[CH3:128])[CH3:129].[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.[CH3:130][CH2:131][O:132][C:133](=[O:134])[CH3:135].[CH3:80][S:81](=[O:82])(=[O:83])[c:84]1[c:85]([C:86](=[O:87])[OH:88])[cH:89][c:90](-[n:93]2[n:94][n:95][n:96][cH:97]2)[cH:91][cH:92]1.[CH:109]([N:110]([CH2:111][CH3:112])[CH:113]([CH3:114])[CH3:115])([CH3:116])[CH3:117].[Cl:136][CH2:137][Cl:138].[ClH:118].[ClH:1].[OH2:98].[OH:99][n:100]1[c:101]2[cH:102][cH:103][cH:104][cH:105][c:106]2[n:107][n:108]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:86]([c:85]4[c:84]([S:81]([CH3:80])(=[O:82])=[O:83])[cH:92][cH:91][c:90](-[n:93]5[n:94][n:95][n:96][cH:97]5)[cH:89]4)=[O:87])[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

12

Reactant 11

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 184645642-(3-Phenylpyrrolidin-3-yl)ethanolHCID 184646773-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidineHCID 184648652-Methylsulfonyl-5-(1H-tetrazol-1-yl)benzoic AcidHCID 534427013-Hydroxy-2-(4-methoxybenzoyl)-2-(4-methoxybenzoyl)oxybutanedioic acid

Product 1

HCID 184644791-(2-Methylsulfonyl-5-(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-80b35c51c9e64163944d499f06db0ef4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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