HRID301822

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID582709

(2-Isocyanatocyclopropyl)benzene

C10H9NO

HCID66849536

[4-(6-Aminopyridazin-3-yl)piperazin-1-yl](2-trifluoromethylphenyl)methanone

C16H16F3N5O

PRODUCTS

产物

HCID11432216

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9b8a1cfa7a77438999b9cb6cee2b0cbb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[N:26](=[C:27]=[O:28])[CH:29]1[CH:30]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:31]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]3[c:17]([C:22]([F:23])([F:24])[F:25])[cH:18][cH:19][cH:20][cH:21]3)[CH2:12][CH2:13]2)[n:6][n:7]1.[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:38]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]3[c:17]([C:22]([F:23])([F:24])[F:25])[cH:18][cH:19][cH:20][cH:21]3)[CH2:12][CH2:13]2)[n:6][n:7]1)[C:27]([NH:26][CH:29]1[CH:30]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:31]1)=[O:28]