Dichloromethane → N-[(4-methylphenyl)sulfonyl]-4-[4-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoyl]piperazine-1-carboxamide

HRID 1238926

반응식

HRID 1238926 반응식
[CH2:43]([Cl:44])[Cl:45].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]2[c:7]([NH:13][c:14]3[cH:15][cH:16][c:17]([C:18](=[O:19])[N:20]4[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]4)[cH:26][cH:27]3)[cH:8][cH:9][n:10][c:11]2[cH:12]1)([F:28])[F:29].[c:30]1([CH3:42])[cH:31][cH:32][c:33]([S:36](=[O:37])(=[O:38])[N:39]=[C:40]=[O:41])[cH:34][cH:35]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]2[c:7]([NH:13][c:14]3[cH:15][cH:16][c:17]([C:18](=[O:19])[N:20]4[CH2:21][CH2:22][N:23]([C:40]([NH:39][S:36]([c:33]5[cH:32][cH:31][c:30]([CH3:42])[cH:35][cH:34]5)(=[O:37])=[O:38])=[O:41])[CH2:24][CH2:25]4)[cH:26][cH:27]3)[cH:8][cH:9][n:10][c:11]2[cH:12]1)([F:28])[F:29]

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 77703p-Toluenesulfonyl isocyanateHCID 30552431-Piperazinyl(4-((7-(trifluoromethyl)-4-quinolinyl)amino)phenyl)methanone

생성물 1

HCID 20392887N-[(4-methylphenyl)sulfonyl]-4-[4-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoyl]piperazine-1-carboxamide

출처 및 근거

ORD 기록
ord-9a2e0ee35e2c4de3b2aa20c3cad222c3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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