Dimethylamine → {3-[3-(4-Chloro-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-ynyl}-dimethyl-amine

반응식

[CH3:25][NH:26][CH3:27].[CH3:28][CH2:29][OH:30].[Cl: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]([CH3:22])(=[O:23])=[O:24])[cH:16]3)[cH:6][cH:7]1>>[Cl: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][N:26]([CH3:25])[CH3:27])[cH:16]3)[cH:6][cH:7]1

참가 물질

반응물 3

HCID 674Dimethylamine

HCID 702Ethanol

HCID 57428081Methanesulfonic acid 3-[3-(4-chloro-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-ynyl ester

생성물 1

HCID 22313967{3-[3-(4-Chloro-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-ynyl}-dimethyl-amine

출처 및 근거

ORD 기록: ord-48a402ec4bc5466fad1a982bf1a994c3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…