HRID1560699

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID69252

Benzoyl chloride, 3-chloro-

C7H4Cl2O

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：Cc1cc(C)n(CC(=O)N2CCN(c3ncc(Cl)cc3N)CC2)n1

HCID59548857

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc(C)n(CC(=O)N2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)n1

HCID59548760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-df5e9257b4ec4796a397487b93225d9d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[CH2:44]([Cl:45])[Cl:46].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:25][c:26]1[cH:27][c:28]([C:29](=[O:30])[Cl:31])[cH:32][cH:33][cH:34]1.[NH2:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([C:15]([CH2:16][n:17]3[n:18][c:19]([CH3:23])[cH:20][c:21]3[CH3:22])=[O:24])[CH2:13][CH2:14]2)[n:4][cH:5][c:6]([Cl:8])[cH:7]1>>[NH:1]([c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([C:15]([CH2:16][n:17]3[n:18][c:19]([CH3:23])[cH:20][c:21]3[CH3:22])=[O:24])[CH2:13][CH2:14]2)[n:4][cH:5][c:6]([Cl:8])[cH:7]1)[C:29]([c:28]1[cH:27][c:26]([Cl:25])[cH:34][cH:33][cH:32]1)=[O:30]