Dichloromethane → 1-[[(4-Methylphenyl)amino]carbonyl]-4-[4-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoyl]piperazine

HRID 148598

반응식

HRID 148598 반응식
[CH2:40]([Cl:41])[Cl:42].[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([CH3:39])[cH:31][cH:32][c:33]([N:36]=[C:37]=[O:38])[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:37]([NH:36][c:33]5[cH:32][cH:31][c:30]([CH3:39])[cH:35][cH:34]5)=[O:38])[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 693254-Methylphenyl isocyanateHCID 30552431-Piperazinyl(4-((7-(trifluoromethyl)-4-quinolinyl)amino)phenyl)methanone

생성물 1

HCID 135448611-[[(4-Methylphenyl)amino]carbonyl]-4-[4-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoyl]piperazine

출처 및 근거

ORD 기록
ord-a7fb23c3064d4dd88e99793493c0b822
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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