Methanol → HCID 178467366, compound

HRID 308961Notes

Reaction equation

[CH2:1]([CH3:2])[O:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17](-[c:22]4[n:23][n:24][n:25][n:26]4[C:27]([c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)([c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[c:46]([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[O:56][C:57](=[O:58])[O:59][CH2:60][CH2:61][CH2:62][CH2:63][CH:64]([CH2:65][O:66][N+:67](=[O:68])[O-:69])[O:70][N+:71](=[O:72])[O-:73])[cH:47][cH:48][cH:49]2.[CH3:74][OH:75].[Cl:76][CH2:77][Cl:78]>>[CH2:1]([CH3:2])[O:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17](-[c:22]4[nH:23][n:24][n:25][n:26]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[c:46]([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[O:56][C:57](=[O:58])[O:59][CH2:60][CH2:61][CH2:62][CH2:63][CH:64]([CH2:65][O:66][N+:67](=[O:68])[O-:69])[O:70][N+:71](=[O:72])[O-:73])[cH:47][cH:48][cH:49]2

Participants

Reactant 3

HCID 887Methanol

HCID 6344Dichloromethane

HCID 866225351-[({[5,6-bis(nitrooxy)hexyl]oxy}carbonyl)oxy]-1-methylethyl 2-ethoxy-1-{[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylate

Product 1

HCID 178467366HCID 178467366, compound

Sources & evidence

ORD record: ord-bc515b24d4444df2a8ab5d4823857924
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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