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Acetate → 3-cyclopentyl-2-(4-sulfamoyl-phenyl)-N-thiazol-2-yl-propionamide

HRID 167119
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HRID 167119 반응식
[CH2:38]([B:39]([CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH3:50].[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:52][C:53](=[O:54])[O-:55].[CH:13]1([CH2:18][CH:19]([C:20](=[O:21])[NH:22][c:23]2[s:24][cH:25][cH:26][n:27]2)[c:28]2[cH:29][cH:30][c:31]([S:34](=[O:35])(=[O:36])[CH3:37])[cH:32][cH:33]2)[CH2:14][CH2:15][CH2:16][CH2:17]1.[CH:1]([NH:4][CH:2]([CH3:3])[CH3:5])([CH3:6])[CH3:7].[Na+:51].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH2:61]>>[NH2:4][S:34]([c:31]1[cH:30][cH:29][c:28]([CH:19]([CH2:18][CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17]2)[C:20](=[O:21])[NH:22][c:23]2[s:24][cH:25][cH:26][n:27]2)[cH:33][cH:32]1)(=[O:35])=[O:36]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 175AcetateHCID 923Sodium IonHCID 962WaterHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 31216TributylboraneHCID 97999423-Cyclopentyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-propionamide
HCID 178418339
Butyllithium

생성물 1

HCID 223152433-cyclopentyl-2-(4-sulfamoyl-phenyl)-N-thiazol-2-yl-propionamide

출처 및 근거

ORD 기록
ord-8631078e591a4793beaa1a5e1500c9bb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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