Pyridine → 2-chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]-4-fluorophenyl chlorosulphate

HRID 172548

Reaction equation

HRID 172548 reaction equation
[CH2:34]([Cl:35])[Cl:36].[Cl:1][c:2]1[cH:3][c:4]([F:22])[c:5](-[n:9]2[c:10](=[O:21])[n:11]([CH3:20])[c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2=[O:15])[cH:6][c:7]1[OH:8].[S:23](=[O:24])(=[O:25])([Cl:26])[Cl:27].[cH:28]1[cH:29][cH:30][n:31][cH:32][cH:33]1>>[Cl:1][c:2]1[cH:3][c:4]([F:22])[c:5](-[n:9]2[c:10](=[O:21])[n:11]([CH3:20])[c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2=[O:15])[cH:6][c:7]1[O:8][S:23](=[O:24])(=[O:25])[Cl:26]

Participants

5

Reactant 4

HCID 1049PyridineHCID 6344DichloromethaneHCID 24648Sulfuryl chlorideHCID 112677571-methyl-6-trifluoromethyl-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2,4(1H,3H)-pyrimidinedione

Product 1

HCID 200260872-chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]-4-fluorophenyl chlorosulphate

Sources & evidence

ORD record
ord-df768f1c651c4f2ca2b1ac186379e9c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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