Dichloromethane → N-[4-(4-chlorophenyl)phenyl]-3-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]phenyl]prop-2-enamide

HRID 310319

반응식

HRID 310319 반응식
[CH3:1][S:2]([O:3][CH2:6][c:7]1[cH:8][cH:9][c:10]([CH:13]=[CH:14][C:15]([NH:16][c:17]2[cH:18][cH:19][c:20](-[c:23]3[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]3)[cH:21][cH:22]2)=[O:30])[cH:11][cH:12]1)(=[O:4])=[O:5].[CH3:31][NH:32][CH:33]1[CH2:34][CH2:35][CH:36]([CH3:39])[CH2:37][CH2:38]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[Cl:47][CH2:48][Cl:49]>>[CH2:6]([c:7]1[cH:8][cH:9][c:10]([CH:13]=[CH:14][C:15]([NH:16][c:17]2[cH:18][cH:19][c:20](-[c:23]3[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]3)[cH:21][cH:22]2)=[O:30])[cH:11][cH:12]1)[N:32]([CH3:31])[CH:33]1[CH2:34][CH2:35][CH:36]([CH3:39])[CH2:37][CH2:38]1

참가 물질

5

반응물 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 4962029N,4-DimethylcyclohexanamineHCID 91534994[4-[3-[4-(4-Chlorophenyl)anilino]-3-oxoprop-1-enyl]phenyl]methyl methanesulfonate

생성물 1

HCID 68815855N-[4-(4-chlorophenyl)phenyl]-3-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]phenyl]prop-2-enamide

출처 및 근거

ORD 기록
ord-c9a34d53068840938fd3422d0595afdd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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