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Acetate → N-[2-[5-(2-oxopyrrolidin-1-yl)-2-phenyl-3-propanoyl-1,3,4-thiadiazol-2-yl]ethyl]methanesulfonamide

HRID 149037
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반응식

HRID 149037 반응식
[Br:30][CH2:31][CH2:32][CH2:33][C:34](=[O:35])[Cl:36].[CH3:38][C:39](=[O:40])[O-:41].[CH3:47][S:48]([CH3:49])=[O:50].[Cl:43][CH2:44][Cl:45].[ClH:42].[NH2:1][C:2]1=[N:3][N:4]([C:20]([CH2:21][CH3:22])=[O:23])[C:5]([c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)([CH2:13][CH2:14][NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[S:6]1.[Na+:37].[OH2:46].[cH:24]1[cH:25][cH:26][n:27][cH:28][cH:29]1>>[N:1]1([C:2]2=[N:3][N:4]([C:20]([CH2:21][CH3:22])=[O:23])[C:5]([c:7]3[cH:8][cH:9][cH:10][cH:11][cH:12]3)([CH2:13][CH2:14][NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[S:6]2)[CH2:31][CH2:32][CH2:33][C:34]1=[O:35]
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 175AcetateHCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 923Sodium IonHCID 962WaterHCID 1049PyridineHCID 6344DichloromethaneHCID 702254-Bromobutyryl chloride
HCID 67039362
N-[2-(5-amino-2-phenyl-3-propionyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)ethyl]methanesulfonamide

생성물 1

HCID 11858425N-[2-[5-(2-oxopyrrolidin-1-yl)-2-phenyl-3-propanoyl-1,3,4-thiadiazol-2-yl]ethyl]methanesulfonamide

출처 및 근거

ORD 기록
ord-f7ccefec967049fd9e1d29660524e39f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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