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Potassium Cation → 3-[[4-(4-amino-3-fluorobenzoyl)piperazin-1-yl]methyl]-N-butan-2-ylbenzamide

HRID 1122017
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HRID 1122017 반응식
[C:55](=[O:56])([O-:57])[O-:58].[CH2:39]([P:40]([OH:41])(=[O:42])[OH:43])[CH2:44][CH3:45].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH:1]([CH3:2])([CH2:3][CH3:4])[NH:5][C:6]([c:7]1[cH:8][c:9]([CH2:13][N:14]2[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)[cH:10][cH:11][cH:12]1)=[O:20].[Cl:46][CH2:47][Cl:48].[K+:59].[K+:60].[NH2:21][c:22]1[c:23]([F:31])[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]1>>[CH:1]([CH3:2])([CH2:3][CH3:4])[NH:5][C:6]([c:7]1[cH:8][c:9]([CH2:13][N:14]2[CH2:15][CH2:16][N:17]([C:26]([c:25]3[cH:24][c:23]([F:31])[c:22]([NH2:21])[cH:30][cH:29]3)=[O:27])[CH2:18][CH2:19]2)[cH:10][cH:11][cH:12]1)=[O:20]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 813Potassium Cation2회HCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 99714-Amino-3-fluorobenzoic acidHCID 19660Carbonate IonHCID 204484Propylphosphonic acid
HCID 66878608
N-butan-2-yl-3-(piperazin-1-ylmethyl)benzamide

생성물 1

HCID 668793193-[[4-(4-amino-3-fluorobenzoyl)piperazin-1-yl]methyl]-N-butan-2-ylbenzamide

출처 및 근거

ORD 기록
ord-cd72891ec4f64d9685e1ea05086e8bcb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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