Hydrochloric Acid → HCID 72297323, compound

HRID 670190Notes

Reaction equation

[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH2:6][CH2:7][CH:8]([O:11][C:12](=[O:13])[N:14]2[c:15]3[c:16]([cH:43][c:44]([CH3:51])[c:45]([C:47]([F:48])([F:49])[F:50])[cH:46]3)[CH:17]([N:21]([c:22]3[n:23][n:24][n:25]([CH3:27])[n:26]3)[CH2:28][c:29]3[cH:30][c:31]([C:39]([F:40])([F:41])[F:42])[cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]3)[CH2:18][CH2:19][CH2:20]2)[CH2:9][CH2:10]1.[CH3:55][OH:56].[ClH:54].[Na+:53].[OH-:52].[OH2:57]>>[O:2]=[C:3]([OH:4])[CH:5]1[CH2:6][CH2:7][CH:8]([O:11][C:12](=[O:13])[N:14]2[c:15]3[c:16]([cH:43][c:44]([CH3:51])[c:45]([C:47]([F:48])([F:49])[F:50])[cH:46]3)[CH:17]([N:21]([c:22]3[n:23][n:24][n:25]([CH3:27])[n:26]3)[CH2:28][c:29]3[cH:30][c:31]([C:39]([F:40])([F:41])[F:42])[cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]3)[CH2:18][CH2:19][CH2:20]2)[CH2:9][CH2:10]1

Participants

Reactant 6

HCID 313Hydrochloric Acid

HCID 72297452(4-Methoxycarbonylcyclohexyl) 5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylate

Product 1

HCID 72297323HCID 72297323, compound

Sources & evidence

ORD record: ord-b74677be28c446aca1868e3498ebc37f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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