Ethylene Glycol → 4-chloro-3-(4-chloro-5-(1,3-dioxolan-2-yl)-2-fluorophenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole

HRID 156308Notes

Reaction equation

HRID 156308 reaction equation
[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cl:2][c:3]1[c:4]([CH:5]=[O:6])[cH:7][c:8](-[c:12]2[n:13][n:14]([CH3:22])[c:15]([C:18]([F:19])([F:20])[F:21])[c:16]2[Cl:17])[c:9]([F:11])[cH:10]1.[OH2:1].[OH:23][CH2:24][CH2:25][OH:26].[c:27]1([CH3:28])[cH:29][cH:30][c:31]([S:32]([OH:33])(=[O:34])=[O:35])[cH:36][cH:37]1>>[Cl:2][c:3]1[c:4]([CH:5]2[O:6][CH2:25][CH2:24][O:23]2)[cH:7][c:8](-[c:12]2[n:13][n:14]([CH3:22])[c:15]([C:18]([F:19])([F:20])[F:21])[c:16]2[Cl:17])[c:9]([F:11])[cH:10]1

Participants

6

Reactant 5

HCID 174Ethylene GlycolHCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 120071322-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-fluorobenzaldehyde

Product 1

HCID 194367504-chloro-3-(4-chloro-5-(1,3-dioxolan-2-yl)-2-fluorophenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole

Sources & evidence

ORD record
ord-36468d1c220246fbb8d07da7f0f86ab7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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