Methane → Methanesulfonic acid 5-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-ynyl ester

반응식

[CH4:31].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][s:11][c:12]3[c:13]2[cH:14][cH:15][c:16]([C:18]#[C:19][CH2:20][CH2:21][CH2:22][OH:23])[cH:17]3)[cH:7][cH:8]1)([F:24])[F:25].[S:26](=[O:27])(=[O:28])([Cl:29])[Cl:30]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][s:11][c:12]3[c:13]2[cH:14][cH:15][c:16]([C:18]#[C:19][CH2:20][CH2:21][CH2:22][O:23][S:26](=[O:27])(=[O:28])[CH3:31])[cH:17]3)[cH:7][cH:8]1)([F:24])[F:25]

참가 물질

반응물 3

HCID 297Methane

HCID 24648Sulfuryl chloride

HCID 223139015-[3-(4-Trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-yn-1-ol

생성물 1

HCID 86585421Methanesulfonic acid 5-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-ynyl ester

출처 및 근거

ORD 기록: ord-694fc74002124dc49981c19a3553d2be
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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