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Citric Acid → N-[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-N-methylmethanesulfonamide

HRID 678993
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반응식

HRID 678993 반응식
[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:31])[C:5](=[O:30])[N:6]([CH:24]([CH2:25][NH:26][CH3:27])[CH2:28][CH3:29])[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1.[CH3:32][S:33]([Cl:34])(=[O:35])=[O:36].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH:43][C:44]([CH2:45][C:46]([C:47](=[O:48])[OH:49])([CH2:50][C:51](=[O:52])[OH:53])[OH:54])=[O:55].[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:31])[C:5](=[O:30])[N:6]([CH:24]([CH2:25][N:26]([CH3:27])[S:33]([CH3:32])(=[O:35])=[O:36])[CH2:28][CH3:29])[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 311Citric AcidHCID 1049PyridineHCID 6228DimethylformamideHCID 31297Methanesulfonyl chlorideHCID 768347375-(3-Chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[1-(methylamino)butan-2-yl]-3-prop-2-enylpiperidin-2-one

생성물 1

HCID 76834756
N-[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butyl]-N-methylmethanesulfonamide

출처 및 근거

ORD 기록
ord-876dcd851a4a4793a7e4d7fd20109ac3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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