Dimethylamine → Dimethyl-{5-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-ynyl}-amine

반응식

[CH3:30][NH:31][CH3:32].[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:24]([CH3:25])(=[O:26])=[O:27])[cH:17]3)[cH:7][cH:8]1)([F:28])[F:29]>>[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][N:31]([CH3:30])[CH3:32])[cH:17]3)[cH:7][cH:8]1)([F:28])[F:29]

참가 물질

반응물 2

HCID 674Dimethylamine

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

생성물 1

HCID 10157098Dimethyl-{5-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-ynyl}-amine

출처 및 근거

ORD 기록: ord-35be83c0c49544819a4c885dd0b699ed
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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