Toluene → 4-Chloro-3-[4-chloro-3-(1,3-dithian-2-yl)-phenyl]-5-difluoromethoxy-1-methyl-1H-pyrazole

HRID 1564086Notes

Reaction equation

HRID 1564086 reaction equation
[CH2:1]([CH2:2][CH2:3][SH:4])[SH:5].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Cl:6][c:7]1[c:8](-[c:17]2[cH:18][c:19]([CH:24]([O:25][CH3:26])[O:27][CH3:28])[c:20]([Cl:23])[cH:21][cH:22]2)[n:9][n:10]([CH3:16])[c:11]1[O:12][CH:13]([F:14])[F:15].[c:29]1([CH3:30])[cH:31][cH:32][c:33]([S:34]([OH:35])(=[O:36])=[O:37])[cH:38][cH:39]1>>[CH2:1]1[CH2:2][CH2:3][S:4][CH:24]([c:19]2[cH:18][c:17](-[c:8]3[c:7]([Cl:6])[c:11]([O:12][CH:13]([F:14])[F:15])[n:10]([CH3:16])[n:9]3)[cH:22][cH:21][c:20]2[Cl:23])[S:5]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 80131,3-PropanedithiolHCID 21226438HCID 21226438, compound

Product 1

HCID 212264444-Chloro-3-[4-chloro-3-(1,3-dithian-2-yl)-phenyl]-5-difluoromethoxy-1-methyl-1H-pyrazole

Sources & evidence

ORD record
ord-2d907e041c3b42d58fd0b13a7fd80aa9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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