2-(Ethyl(1-ethynylcyclohexyl)amino)ethan-1-ol → 2-(Ethyl-{1-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-ylethynyl]-cyclohexyl}-amino)-ethanol

반응식

[CH2:28]([CH3:29])[N:30]([CH2:31][CH2:32][OH:33])[C:34]1([C:40]#[CH:41])[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1.[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]([O:18][S:19]([C:20]([F:21])([F:22])[F:23])(=[O:24])=[O:25])[cH:17]3)[cH:7][cH:8]1)([F:26])[F:27]>>[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:41]#[C:40][C:34]2([N:30]([CH2:28][CH3:29])[CH2:31][CH2:32][OH:33])[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[cH:17]3)[cH:7][cH:8]1)([F:26])[F:27]

참가 물질

반응물 2

HCID 223141892-(Ethyl(1-ethynylcyclohexyl)amino)ethan-1-ol

HCID 57428077Trifluoro-methanesulfonic acid 3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl ester

생성물 1

HCID 223139832-(Ethyl-{1-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-ylethynyl]-cyclohexyl}-amino)-ethanol

출처 및 근거

ORD 기록: ord-49af171dc48e4eb5acc622b18c070d28
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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