Hydrochloric Acid → HCID 72360022, compound

HRID 198409Notes

Reaction equation

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([OH:36])[c:13]([C:16]([CH3:17])=[N:18][NH:19][C:20](=[S:21])[NH:22][c:23]3[cH:24][c:25]([N+:33](=[O:34])[O-:35])[c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32]3)[cH:14][s:15]2)[cH:9][cH:10]1.[CH:41]([OH:42])([CH3:43])[CH3:44].[ClH:39].[Na+:38].[OH-:37].[OH2:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([OH:36])[c:13]([C:16]([CH3:17])=[N:18][NH:19][C:20](=[S:21])[NH:22][c:23]3[cH:24][c:25]([N+:33](=[O:34])[O-:35])[c:26]([C:27](=[O:28])[OH:29])[cH:31][cH:32]3)[cH:14][s:15]2)[cH:9][cH:10]1

Participants

Reactant 6

HCID 313Hydrochloric Acid

HCID 72360032Methyl 4-{[(2-{1-[5-(4-t-butylphenyl)-4-hydroxy-3-thienyl]ethylidene}hydrazino)carbonothioyl]amino}-2-nitrobenzoate

Product 1

HCID 72360022HCID 72360022, compound

Sources & evidence

ORD record: ord-7c96e9899d6c4ef5850d29d4a76d1bf0
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…