1,2-Dichloroethane → 1-[3-(4-Chloro-2-methyl-2H-pyrazol-3-yl)4-hydroxy-phenyl]-3-(2,4-difluoro-phenyl)-urea

HRID 182738Notes

Reaction equation

HRID 182738 reaction equation
[Al+3:29].[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[Cl-:28].[Cl-:30].[Cl-:31].[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][c:10]([NH:16][C:17](=[O:18])[NH:19][c:20]3[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]3)[cH:11][cH:12][c:13]2[O:14][CH3:15])[n:4]([CH3:7])[n:5][cH:6]1.[Cl:38][CH2:39][CH2:40][Cl:41]>>[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][c:10]([NH:16][C:17](=[O:18])[NH:19][c:20]3[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]3)[cH:11][cH:12][c:13]2[OH:14])[n:4]([CH3:7])[n:5][cH:6]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 312Chloride3×HCID 8857Ethyl AcetateHCID 104727Aluminum CationHCID 116755501-[3-(4-Chloro-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(2,4-difluoro-phenyl)urea

Product 1

HCID 1356979371-[3-(4-Chloro-2-methyl-2H-pyrazol-3-yl)4-hydroxy-phenyl]-3-(2,4-difluoro-phenyl)-urea

Sources & evidence

ORD record
ord-5bb525bf5b6a4ffc8d592fe8117e3716
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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