Water → Toluene-4-sulfonic acid 2-isopropyl-4-methoxy-phenyl ester

HRID 1116240노트

반응식

HRID 1116240 반응식
[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([OH:12])[cH:6][cH:7][c:8]([O:10][CH3:11])[cH:9]1.[Cl:25][CH2:26][Cl:27].[OH2:24].[c:13]1([CH3:23])[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[Cl:22])[cH:17][cH:18]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:12][S:19]([c:16]2[cH:15][cH:14][c:13]([CH3:23])[cH:18][cH:17]2)(=[O:20])=[O:21])[cH:6][cH:7][c:8]([O:10][CH3:11])[cH:9]1

참가 물질

5

출처 및 근거

ORD 기록
ord-8a0e9552e4e5452d97650f0a33f08d3a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

반응 노트

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