Thioglycolic Acid → 2,6-dichloro-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-alpha,alpha-dimethylbenzeneacetonitrile

HRID 159084Notes

Reaction equation

HRID 159084 reaction equation
[Cl:1][c:2]1[cH:3][c:4](-[n:14]2[n:15][c:16]([C:22]([OH:23])=[O:24])[c:17](=[O:21])[nH:18][c:19]2=[O:20])[cH:5][c:6]([Cl:13])[c:7]1[C:8]([CH3:9])([CH3:10])[C:11]#[N:12].[SH:25][CH2:26][C:27]([OH:28])=[O:29]>>[Cl:1][c:2]1[cH:3][c:4](-[n:14]2[n:15][cH:16][c:17](=[O:21])[nH:18][c:19]2=[O:20])[cH:5][c:6]([Cl:13])[c:7]1[C:8]([CH3:9])([CH3:10])[C:11]#[N:12]

Participants

3

Reactant 2

HCID 1133Thioglycolic AcidHCID 111528672-[3,5-Dichloro-4-(1-cyano-1-methylethyl)phenyl]-2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazine-6-carboxylic acid

Product 1

HCID 114841762,6-dichloro-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-alpha,alpha-dimethylbenzeneacetonitrile

Sources & evidence

ORD record
ord-226343ca03bf4b908870e8caa11d7258
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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