HRID1214759

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID101863

Phosphorochloridic acid, dimethyl ester

C2H6ClO3P

结构：CC(Nc1nccc(-n2cnc3ccccc32)n1)C1CCCNC1

HCID18332630

未命名化合物

PRODUCTS

生成物

结构：COP(=O)(OC)N1CCCC(C(C)Nc2nccc(-n3cnc4ccccc43)n2)C1

HCID70138679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebac2532af964032b9d0a812eb77ca0c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Cl:39][CH2:40][Cl:41].[NH:1]1[CH2:2][CH:3]([CH:7]([CH3:8])[NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[n:16]3[cH:17][n:18][c:19]4[c:20]3[cH:21][cH:22][cH:23][cH:24]4)[n:15]2)[CH2:4][CH2:5][CH2:6]1.[P:32](=[O:33])([O:34][CH3:35])([O:36][CH3:37])[Cl:38]>>[N:1]1([P:32](=[O:33])([O:34][CH3:35])[O:36][CH3:37])[CH2:2][CH:3]([CH:7]([CH3:8])[NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[n:16]3[cH:17][n:18][c:19]4[c:20]3[cH:21][cH:22][cH:23][cH:24]4)[n:15]2)[CH2:4][CH2:5][CH2:6]1