Toluene → 2-[3-Chloro-4-(4-chloropyrazol-1-yl)phenyl]propionic acid

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 6101p-Toluenesulfonic acid

HCID 570527092-[3-Chloro-4-(4-chloropyrazol-1-yl)phenyl]propionic acid tert.-butylester

생성물 1

HCID 203034102-[3-Chloro-4-(4-chloropyrazol-1-yl)phenyl]propionic acid

출처 및 근거

ORD 기록: ord-b832231d9ad64b4fa1a9acba079ef1c9
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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