Thionyl Chloride → 3-Chlorosulfonyl-4-methylbenzoic acid 2-(p-tolylsulfonyl)ethyl ester

HRID 157985

반응식

HRID 157985 반응식
[Cl:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12][c:13]1[CH3:14].[S:28]([Cl:29])([Cl:30])=[O:31].[c:15]1([CH3:27])[cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[CH2:24][CH2:25][OH:26])[cH:19][cH:20]1>>[Cl:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]([C:8]([O:9][CH2:25][CH2:24][S:21]([c:18]2[cH:17][cH:16][c:15]([CH3:27])[cH:20][cH:19]2)(=[O:22])=[O:23])=[O:10])[cH:11][cH:12][c:13]1[CH3:14]

참가 물질

4

반응물 3

HCID 24386Thionyl ChlorideHCID 89682Ethanol, 2-[(4-methylphenyl)sulfonyl]-HCID 2418593-(Chlorosulfonyl)-4-methylbenzoic acid

생성물 1

HCID 865925683-Chlorosulfonyl-4-methylbenzoic acid 2-(p-tolylsulfonyl)ethyl ester

출처 및 근거

ORD 기록
ord-d4674c1c89234acfa2468c7faf958777
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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