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Potassium Cation → (5-{3-[2-(4-chloro-phenyl)-vinyl]-phenyl}-1,4-dimethyl-1H-pyrazol-3-yl)-(3-diethylamino-pyrrolidin-1-yl)-methanone

HRID 1206431
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HRID 1206431 반응식
[Br:9][c:10]1[cH:11][c:12](-[c:16]2[c:17]([CH3:34])[c:18]([C:22](=[O:23])[N:24]3[CH2:25][CH:26]([N:29]([CH2:30][CH3:31])[CH2:32][CH3:33])[CH2:27][CH2:28]3)[n:19][n:20]2[CH3:21])[cH:13][cH:14][cH:15]1.[Cl:35][c:36]1[cH:37][cH:38][c:39]([CH:42]=[CH:43][B:44]([OH:45])[OH:46])[cH:40][cH:41]1.[K+:6].[K+:7].[K+:8].[P:1]([O-:2])([O-:3])([O-:4])=[O:5]>>[c:10]1([CH:43]=[CH:42][c:39]2[cH:38][cH:37][c:36]([Cl:35])[cH:41][cH:40]2)[cH:11][c:12](-[c:16]2[c:17]([CH3:34])[c:18]([C:22](=[O:23])[N:24]3[CH2:25][CH:26]([N:29]([CH2:30][CH3:31])[CH2:32][CH3:33])[CH2:27][CH2:28]3)[n:19][n:20]2[CH3:21])[cH:13][cH:14][cH:15]1
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참가 물질

5

반응물 4

HCID 813Potassium Cation3회HCID 1061PhosphateHCID 43495432-(4-Chlorophenyl)vinylboronic acidHCID 67315151[5-(3-bromo-phenyl)-1,4-dimethyl-1H-pyrazol-3-yl]-(3-diethylamino-pyrrolidin-1-yl)-methanone

생성물 1

HCID 67313640(5-{3-[2-(4-chloro-phenyl)-vinyl]-phenyl}-1,4-dimethyl-1H-pyrazol-3-yl)-(3-diethylamino-pyrrolidin-1-yl)-methanone

출처 및 근거

ORD 기록
ord-03285956f16e498cb70140b242f4cbc5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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