HRID213776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

HCID68509

Benzenemethanamine, alpha,alpha-dimethyl-

C9H13N

HCID81531

Diisopropylethylamine

C8H19N

结构：CCOC(=O)n1nc(NC(=O)c2ccccc2[N+](=O)[O-])c2cc(C(=O)O)sc21

HCID57737263

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)n1nc(NC(=O)c2ccccc2[N+](=O)[O-])c2cc(C(=O)NC(C)(C)c3ccccc3)sc21

HCID57737260

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e10fba03dc44971afce2260f0681954
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:33]([CH3:34])([CH3:35])([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[NH2:42].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[n:6]1[n:7][c:8]([NH:17][C:18]([c:19]2[c:20]([N+:25](=[O:26])[O-:27])[cH:21][cH:22][cH:23][cH:24]2)=[O:28])[c:9]2[c:10]1[s:11][c:12]([C:14](=[O:15])[OH:16])[cH:13]2.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:59][CH2:60][Cl:61].[S:29]([Cl:30])([Cl:31])=[O:32]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[n:6]1[n:7][c:8]([NH:17][C:18]([c:19]2[c:20]([N+:25](=[O:26])[O-:27])[cH:21][cH:22][cH:23][cH:24]2)=[O:28])[c:9]2[c:10]1[s:11][c:12]([C:14](=[O:15])[NH:42][C:33]([CH3:34])([CH3:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[cH:13]2