3,3-Dimethyl-1-butanol → 3,3-Dimethylbutyl 2-(1-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)-1,3-thiazole-4-carboxylate

반응식

[CH3:27][C:28]([CH2:29][CH2:30][OH:31])([CH3:32])[CH3:33].[F:1][C:2]([c:3]1[n:4][n:5]([CH2:8][C:9](=[O:10])[N:11]2[CH2:12][CH2:13][CH:14]([c:17]3[s:18][cH:19][c:20]([C:22](=[O:23])[OH:24])[n:21]3)[CH2:15][CH2:16]2)[cH:6][cH:7]1)([F:25])[F:26]>>[F:1][C:2]([c:3]1[n:4][n:5]([CH2:8][C:9](=[O:10])[N:11]2[CH2:12][CH2:13][CH:14]([c:17]3[s:18][cH:19][c:20]([C:22](=[O:23])[O:24][CH2:30][CH2:29][C:28]([CH3:27])([CH3:32])[CH3:33])[n:21]3)[CH2:15][CH2:16]2)[cH:6][cH:7]1)([F:25])[F:26]

참가 물질

반응물 2

HCID 122333,3-Dimethyl-1-butanol

HCID 669114762-(1-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)-1,3-thiazole-4-carboxylic acid

생성물 1

HCID 669114853,3-Dimethylbutyl 2-(1-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)-1,3-thiazole-4-carboxylate

출처 및 근거

ORD 기록: ord-6f2227c088014d9d98f67950afc3586c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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