Toluene → 2-Chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluoro-phenyl isothiocyanate

HRID 692765Notes

Reaction equation

HRID 692765 reaction equation
[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Cl:30][C:31]([Cl:32])=[S:33].[NH2:1][c:2]1[c:3]([Cl:22])[cH:4][c:5]([F:21])[c:6](-[n:8]2[c:9](=[O:20])[n:10]([CH3:19])[c:11]([C:15]([F:16])([F:17])[F:18])[cH:12][c:13]2=[O:14])[cH:7]1>>[N:1]([c:2]1[c:3]([Cl:22])[cH:4][c:5]([F:21])[c:6](-[n:8]2[c:9](=[O:20])[n:10]([CH3:19])[c:11]([C:15]([F:16])([F:17])[F:18])[cH:12][c:13]2=[O:14])[cH:7]1)=[C:31]=[S:33]

Participants

5

Reactant 4

HCID 1140TolueneHCID 8471TriethylamineHCID 10040ThiophosgeneHCID 186192573-(5-amino-4-chloro-2-fluorophenyl)-1-methyl-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione

Product 1

HCID 183659632-Chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluoro-phenyl isothiocyanate

Sources & evidence

ORD record
ord-bb7626c306654eceaaedd7ddf48ad81b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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