HRID1558984

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID62325

2-Methylpropanoyl chloride

C4H7ClO

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)c1ccc2c(c1)CC(C)(C)C(c1ccc(Cl)c(N)c1)N2

HCID67441358

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(c1)CC(C)(C)C(c1ccc(Cl)c(NC(=O)C(C)C)c1)N2

HCID67441325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2beb5e7e3a874b80b42fb6661952b0e3
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

[C:34]([CH:35]([CH3:36])[CH3:37])(=[O:38])[Cl:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[Cl:46][CH2:47][Cl:48].[NH2:1][c:2]1[cH:3][c:4]([CH:9]2[NH:10][c:11]3[cH:12][cH:13][c:14]([C:21](=[O:22])[O:23][CH3:24])[cH:15][c:16]3[CH2:17][C:18]2([CH3:19])[CH3:20])[cH:5][cH:6][c:7]1[Cl:8]>>[NH:1]([c:2]1[cH:3][c:4]([CH:9]2[NH:10][c:11]3[cH:12][cH:13][c:14]([C:21](=[O:22])[O:23][CH3:24])[cH:15][c:16]3[CH2:17][C:18]2([CH3:19])[CH3:20])[cH:5][cH:6][c:7]1[Cl:8])[C:34]([CH:35]([CH3:36])[CH3:37])=[O:38]