Methane → Methanesulfonic acid 3-[3-(4-bromo-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-ynyl ester

반응식

[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][s:10][c:11]3[c:12]2[cH:13][cH:14][c:15]([C:17]#[C:18][CH2:19][OH:20])[cH:16]3)[cH:6][cH:7]1.[CH4:26].[S:21](=[O:22])(=[O:23])([Cl:24])[Cl:25]>>[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][s:10][c:11]3[c:12]2[cH:13][cH:14][c:15]([C:17]#[C:18][CH2:19][O:20][S:21](=[O:22])(=[O:23])[CH3:26])[cH:16]3)[cH:6][cH:7]1

참가 물질

반응물 3

HCID 297Methane

HCID 24648Sulfuryl chloride

HCID 223139303-[3-(4-Bromo-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-yn-1-ol

생성물 1

HCID 57428079Methanesulfonic acid 3-[3-(4-bromo-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-ynyl ester

출처 및 근거

ORD 기록: ord-f25aac5d120942a99e031ae410c44d20
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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