Potassium Cation → 1-[4-(4-Bromo-3-methoxyphenyl)-piperazin-1-yl]-2-(4-chloro-5-phenyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone

HRID 700949

반응식

HRID 700949 반응식
[C:47]([O:48][CH2:49][CH3:50])(=[O:51])[CH3:52].[CH3:53][CH2:54][CH2:55][CH2:56][CH2:57][CH3:58].[Cl:1][c:2]1[c:3]([C:13]([F:14])([F:15])[F:16])[n:4][nH:5][c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[Cl:23][CH2:24][C:25](=[O:26])[N:27]1[CH2:28][CH2:29][N:30]([c:33]2[cH:34][c:35]([O:40][CH3:41])[c:36]([Br:39])[cH:37][cH:38]2)[CH2:31][CH2:32]1.[K+:17].[K+:18].[O-:19][C:20]([O-:21])=[O:22].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[Cl:1][c:2]1[c:3]([C:13]([F:14])([F:15])[F:16])[n:4][n:5]([CH2:24][C:25](=[O:26])[N:27]2[CH2:28][CH2:29][N:30]([c:33]3[cH:34][c:35]([O:40][CH3:41])[c:36]([Br:39])[cH:37][cH:38]3)[CH2:31][CH2:32]2)[c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1

참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 8058HexaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 210711252-Chloro-1-[4-(4-bromo-3-methoxy-phenyl)-piperazin-1-yl]-ethanoneHCID 178506302HCID 178506302, 화합물

생성물 1

HCID 210709781-[4-(4-Bromo-3-methoxyphenyl)-piperazin-1-yl]-2-(4-chloro-5-phenyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone

출처 및 근거

ORD 기록
ord-aa8f591c2b8c4769b9c47904e957a07e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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