Acetonitrile → 1-(2-Methoxy-5-(1H-tetrazol-1-yl)benzoyl)-3-(2-(4-(1-(2-methoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidine

HRID 702758Notes

Reaction equation

HRID 702758 reaction equation
[C:34]([O:35][C:36]([C:37](=[O:38])[c:39]1[cH:40][cH:41][c:42]([O:43][CH3:44])[cH:45][cH:46]1)([CH:47]([C:48]([OH:49])=[O:50])[OH:51])[C:52]([OH:53])=[O:54])(=[O:55])[c:56]1[cH:57][cH:58][c:59]([O:60][CH3:61])[cH:62][cH:63]1.[CH3:106][C:107]#[N:108].[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[N:7]2[CH2:8][C:9]([CH2:12][CH2:13][O:14][S:15]([CH3:16])(=[O:17])=[O:18])([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:10][CH2:11]2)[cH:25][c:26](-[n:29]2[n:30][n:31][n:32][cH:33]2)[cH:27][cH:28]1.[CH3:79][O:80][CH2:81][CH2:82][n:83]1[c:84]([N:92]2[CH2:93][CH2:94][NH:95][CH2:96][CH2:97][CH2:98]2)[n:85][c:86]2[c:87]1[cH:88][cH:89][cH:90][cH:91]2.[CH3:99][CH2:100][N:101]([CH2:102][CH3:103])[CH2:104][CH3:105].[IH:78].[c:64]1([C:65]2([CH2:66][CH2:67][OH:68])[CH2:69][CH2:70][NH:71][CH2:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[N:7]2[CH2:8][C:9]([CH2:12][CH2:13][N:95]3[CH2:94][CH2:93][N:92]([c:84]4[n:83]([CH2:82][CH2:81][O:80][CH3:79])[c:87]5[c:86]([n:85]4)[cH:91][cH:90][cH:89][cH:88]5)[CH2:98][CH2:97][CH2:96]3)([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:10][CH2:11]2)[cH:25][c:26](-[n:29]2[n:30][n:31][n:32][cH:33]2)[cH:27][cH:28]1

Participants

8

Reactant 7

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 24841Hydrogen iodideHCID 184645642-(3-Phenylpyrrolidin-3-yl)ethanolHCID 184646442-(1,4-Diazepan-1-yl)-1-(2-methoxyethyl)benzimidazoleHCID 184648112-methoxy-5-(1H-tetrazol-1-yl)benzoyl-3-phenyl-3-(2-methanesulfonyloxyethyl)-pyrrolidineHCID 534427013-Hydroxy-2-(4-methoxybenzoyl)-2-(4-methoxybenzoyl)oxybutanedioic acid

Product 1

HCID 184644161-(2-Methoxy-5-(1H-tetrazol-1-yl)benzoyl)-3-(2-(4-(1-(2-methoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidine

Sources & evidence

ORD record
ord-05a6c50f3b994e869e2248e553a3140f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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