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Ethanol → 1-({4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}methyl)-1H-pyrazole-4-carboxylic acid

HRID 210811
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인쇄 미리보기

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HRID 210811 반응식
[CH2:36]([OH:37])[CH3:38].[Cl:1][c:2]1[c:3]([C:24]([F:25])([F:26])[F:27])[cH:4][c:5](-[c:8]2[n:9][c:10]([CH2:13][n:14]3[n:15][cH:16][c:17]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:18]3)[s:11][cH:12]2)[cH:6][cH:7]1.[Na+:29].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH-:28].[OH2:30]>>[Cl:1][c:2]1[c:3]([C:24]([F:25])([F:26])[F:27])[cH:4][c:5](-[c:8]2[n:9][c:10]([CH2:13][n:14]3[n:15][cH:16][c:17]([C:19](=[O:20])[OH:21])[cH:18]3)[s:11][cH:12]2)[cH:6][cH:7]1
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7

반응물 6

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 66939496ethyl 1-({4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}methyl)-1H-pyrazole-4-carboxylate

생성물 1

HCID 669395621-({4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}methyl)-1H-pyrazole-4-carboxylic acid

출처 및 근거

ORD 기록
ord-8a7287e1abdf42b89ae1666a72c7e064
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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