HRID305538

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7914

Isopropyl ether

C6H14O

HCID10387

Benzyl chloroformate

C8H7ClO2

结构：COC(OC)c1cc(Oc2cccc(N)c2)ccc1[N+](=O)[O-]

HCID58625052

未命名化合物

PRODUCTS

生成物

结构：COC(OC)c1cc(Oc2cccc(NC(=O)OCc3ccccc3)c2)ccc1[N+](=O)[O-]

HCID58625141

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09575307ce9f4d74bcd77c85b0b2cbb5
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

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