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Hydrochloric Acid → 5-(trifluoromethyl)-1-({4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}methyl)-1H-pyrazole-4-carboxylic acid

HRID 205757
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인쇄 미리보기

반응식

HRID 205757 반응식
[CH3:33][CH2:34][OH:35].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[ClH:36].[F:1][C:2]([c:3]1[c:4]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:5][n:6][n:7]1[CH2:8][c:9]1[s:10][cH:11][c:12](-[c:14]2[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]2)[n:13]1)([F:29])[F:30].[Na+:32].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH-:31].[OH2:37]>>[F:1][C:2]([c:3]1[c:4]([C:24](=[O:25])[OH:26])[cH:5][n:6][n:7]1[CH2:8][c:9]1[s:10][cH:11][c:12](-[c:14]2[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]2)[n:13]1)([F:29])[F:30]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl Acetate
HCID 86650597
ethyl 5-(trifluoromethyl)-1-({4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}methyl)-1H-pyrazole-4-carboxylate

생성물 1

HCID 866505985-(trifluoromethyl)-1-({4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}methyl)-1H-pyrazole-4-carboxylic acid

출처 및 근거

ORD 기록
ord-0ba83e0009b14fd5b9028467cb2d21d7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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