Cyclohexyl isocyanate → 1-Cyclohexyl-3-{6-[4-(2-trifluoromethylbenzoyl)piperazin-1-YL]-pyridazin-3-YL}urea

HRID 307114

반응식

HRID 307114 반응식
[CH:1]1([N:7]=[C:8]=[O:9])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[NH2:10][c:11]1[cH:12][cH:13][c:14]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[c:25]3[c:26]([C:31]([F:32])([F:33])[F:34])[cH:27][cH:28][cH:29][cH:30]3)[CH2:21][CH2:22]2)[n:15][n:16]1>>[CH:1]1([NH:7][C:8](=[O:9])[NH:10][c:11]2[cH:12][cH:13][c:14]([N:17]3[CH2:18][CH2:19][N:20]([C:23](=[O:24])[c:25]4[c:26]([C:31]([F:32])([F:33])[F:34])[cH:27][cH:28][cH:29][cH:30]4)[CH2:21][CH2:22]3)[n:15][n:16]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

참가 물질

3

반응물 2

HCID 18502Cyclohexyl isocyanateHCID 66849536[4-(6-Aminopyridazin-3-yl)piperazin-1-yl](2-trifluoromethylphenyl)methanone

생성물 1

HCID 113405101-Cyclohexyl-3-{6-[4-(2-trifluoromethylbenzoyl)piperazin-1-YL]-pyridazin-3-YL}urea

출처 및 근거

ORD 기록
ord-c5dbea66b7414275bc118049797e4c72
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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