Hydrochloric Acid → 4-(3-(4-hydroxyphenyl)-4,4-diMethyl-5-oxo-2-thioxoiMidazolidin-1-yl)-2-(trifluoroMethyl)benzonitrile

Reaction equation

[CH3:29][OH:30].[ClH:32].[OH2:31].[OH:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[C:9](=[S:28])[N:10]([c:16]3[cH:17][c:18]([C:24]([F:25])([F:26])[F:27])[c:19]([C:20]#[N:21])[cH:22][cH:23]3)[C:11](=[NH:15])[C:12]2([CH3:13])[CH3:14])[cH:6][cH:7]1>>[OH:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[C:9](=[S:28])[N:10]([c:16]3[cH:17][c:18]([C:24]([F:25])([F:26])[F:27])[c:19]([C:20]#[N:21])[cH:22][cH:23]3)[C:11](=[O:30])[C:12]2([CH3:13])[CH3:14])[cH:6][cH:7]1

Participants

Reactant 4

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 962Water

HCID 866098534-[3-(4-Hydroxyphenyl)-5-imino-4,4-dimethyl-2-thioxoimidazolidin-1-yl]-2-trifluoromethylbenzonitrile

Product 1

HCID 159526854-(3-(4-hydroxyphenyl)-4,4-diMethyl-5-oxo-2-thioxoiMidazolidin-1-yl)-2-(trifluoroMethyl)benzonitrile

Sources & evidence

ORD record: ord-3fb7ba0d719a43efa1ce10692190fe6b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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