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Dichloromethane → N-(2-{3-[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-phenyl}-3,3-dimethyl-1,2,3,4tetrahydro-quinoline-6-carbonyl)-methanesulfonamide

HRID 192015
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HRID 192015 반응식
[CH3:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([c:15]3[cH:16][c:17]([CH:21]4[NH:22][c:23]5[cH:24][cH:25][c:26]([C:33](=[O:34])[OH:35])[cH:27][c:28]5[CH2:29][C:30]4([CH3:31])[CH3:32])[cH:18][cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:4][cH:5][c:6]([CH3:8])[cH:7]1.[CH3:36][S:37](=[O:38])(=[O:39])[NH2:40].[CH3:41][N:42]([CH3:43])[c:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1.[Cl:50][CH2:51][Cl:52]>>[CH3:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([c:15]3[cH:16][c:17]([CH:21]4[NH:22][c:23]5[cH:24][cH:25][c:26]([C:33](=[O:34])[NH:40][S:37]([CH3:36])(=[O:38])=[O:39])[cH:27][c:28]5[CH2:29][C:30]4([CH3:31])[CH3:32])[cH:18][cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:4][cH:5][c:6]([CH3:8])[cH:7]1
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반응물 4

HCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 72879MethanesulfonamideHCID 534920362-{3-[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-phenyl}-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

생성물 1

HCID 58476249N-(2-{3-[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-phenyl}-3,3-dimethyl-1,2,3,4tetrahydro-quinoline-6-carbonyl)-methanesulfonamide

출처 및 근거

ORD 기록
ord-1b47e359eb0344539be8fc478ebf8356
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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