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Ethanolamine → 1-[5-({1-[4-Chloro-2-(trifluoromethyl)benzyl]-3-methyl-1H-indazol-5-yl}methylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylic acid

HRID 206959
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반응식

HRID 206959 반응식
[Cl:1][c:2]1[cH:3][c:4]([C:29]([F:30])([F:31])[F:32])[c:5]([CH2:6][n:7]2[n:8][c:9]([CH3:26])[c:10]3[cH:11][c:12]([CH:16]=[C:17]4[C:18](=[O:25])[N:19]=[C:20]([S:22][CH2:23][CH3:24])[S:21]4)[cH:13][cH:14][c:15]23)[cH:27][cH:28]1.[NH2:42][CH2:43][CH2:44][OH:45].[NH:33]1[CH2:34][CH2:35][CH:36]([C:39](=[O:40])[OH:41])[CH2:37][CH2:38]1>>[Cl:1][c:2]1[cH:3][c:4]([C:29]([F:30])([F:31])[F:32])[c:5]([CH2:6][n:7]2[n:8][c:9]([CH3:26])[c:10]3[cH:11][c:12]([CH:16]=[C:17]4[C:18](=[O:25])[N:19]=[C:20]([N:33]5[CH2:34][CH2:35][CH:36]([C:39](=[O:40])[OH:41])[CH2:37][CH2:38]5)[S:21]4)[cH:13][cH:14][c:15]23)[cH:27][cH:28]1
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참가 물질

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반응물 3

HCID 700EthanolamineHCID 37734-Piperidinecarboxylic acidHCID 672404815-[1-(4-Chloro-2-trifluoromethyl-benzyl)-3-methyl-1H-indazol-5-ylmethylene]-2-ethylsulfanyl-thiazol-4-one

생성물 1

HCID 672422211-[5-({1-[4-Chloro-2-(trifluoromethyl)benzyl]-3-methyl-1H-indazol-5-yl}methylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylic acid

출처 및 근거

ORD 기록
ord-8602971021984946b16e1e79877d25b8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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