Hydrogen iodide → 1-(2-Methoxy-5-(1H-tetrazol-1-yl)benzoyl)-3-(2-(4-(1-(4-fluorobenzyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidine
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.[CH3:1][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.[F:79][c:80]1[cH:81][cH:82][c:83]([CH2:84][n:85]2[c:86]([N:94]3[CH2:95][CH2:96][NH:97][CH2:98][CH2:99][CH2:100]3)[n:87][c:88]3[c:89]2[cH:90][cH:91][cH:92][cH:93]3)[cH:101][cH:102]1.[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:97]3[CH2:96][CH2:95][N:94]([c:86]4[n:85]([CH2:84][c:83]5[cH:82][cH:81][c:80]([F:79])[cH:102][cH:101]5)[c:89]5[c:88]([n:87]4)[cH:93][cH:92][cH:91][cH:90]5)[CH2:100][CH2:99][CH2:98]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]1Participants
6
Reactant 5
HCID 24841Hydrogen iodide
HCID 184645642-(3-Phenylpyrrolidin-3-yl)ethanol
HCID 184648112-methoxy-5-(1H-tetrazol-1-yl)benzoyl-3-phenyl-3-(2-methanesulfonyloxyethyl)-pyrrolidine
HCID 184649032-[1,4]Diazepan-1-YL-1-(4-fluoro-benzyl)-1H-benzoimidazole
HCID 534427013-Hydroxy-2-(4-methoxybenzoyl)-2-(4-methoxybenzoyl)oxybutanedioic acidProduct 1
Sources & evidence
- ORD record
- ord-1b751ddc53b54ef9ae7570bea62f2060
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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