Benzene → 5-Chloro-4-chloromethyl-3-(4-chloro-phenyl)-1-phenyl-1H-pyrazole

반응식

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

참가 물질

반응물 3

HCID 241Benzene

HCID 24386Thionyl Chloride

HCID 53664379[5-Chloro-3-(4-chloro-phenyl)-1-phenyl-1H-pyrazol-4-yl]-methanol

생성물 1

HCID 540260095-Chloro-4-chloromethyl-3-(4-chloro-phenyl)-1-phenyl-1H-pyrazole

출처 및 근거

ORD 기록: ord-5bcbd4e14448418e86aba4afe190e70f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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