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Acetone → 1-[5-Oxo-1-(3-trifluoromethyl-phenyl)-pyrrolidin-3-ylmethyl]-1H-pyrazole-4-carboxylic acid ethyl ester

HRID 305867
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반응식

HRID 305867 반응식
[C:32](=[O:33])([O-:34])[O-:35].[CH2:22]([CH3:23])[O:24][C:25](=[O:26])[c:27]1[cH:28][n:29][nH:30][cH:31]1.[CH3:38][C:39](=[O:40])[CH3:41].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[K+:36].[K+:37].[O:1]=[C:2]1[CH2:3][CH:4]([O:17][S:18]([CH3:19])(=[O:20])=[O:21])[CH2:5][N:6]1[c:7]1[cH:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][cH:11][cH:12]1>>[O:1]=[C:2]1[CH2:3][CH:4]([CH2:32][n:30]2[n:29][cH:28][c:27]([C:25]([O:24][CH2:22][CH3:23])=[O:26])[cH:31]2)[CH2:5][N:6]1[c:7]1[cH:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][cH:11][cH:12]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 180AcetoneHCID 813Potassium Cation2회HCID 8058HexaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 142179ethyl 1H-pyrazole-4-carboxylateHCID 57429674Methanesulfonic acid 5-oxo-1-(3-trifluoromethyl-phenyl)-pyrrolidin-3-yl ester

생성물 1

HCID 579887781-[5-Oxo-1-(3-trifluoromethyl-phenyl)-pyrrolidin-3-ylmethyl]-1H-pyrazole-4-carboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-027f195c75ff424db16b45e5bfbb543a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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