HRID2329093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7998

Propyl chloroformate

C4H7ClO2

HCID8471

Triethylamine

C6H15N

结构：CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)NS(C)(=O)=O

HCID9843452

未命名化合物

PRODUCTS

生成物

结构：CCCOC(=O)Nc1nc2ccccc2c2c1nc(COCC)n2CC(C)(C)NS(C)(=O)=O

HCID16051381

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87cca18af59a4ea9a88a46e03c38c854
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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