HRID308293

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15540

Benzenesulfonyl chloride, 2-nitro-

C6H4ClNO4S

结构：CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN)ccc21

HCID68673521

未命名化合物

PRODUCTS

生成物

结构：CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21

HCID68672787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fad5bff52de451283d678f83c785a0c
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][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[Cl:44][CH2:45][Cl:46].[N+:31](=[O:32])([O-:33])[c:34]1[c:35]([S:40](=[O:41])(=[O:42])[Cl:43])[cH:36][cH:37][cH:38][cH:39]1.[NH2:8][CH2:9][CH2:10][CH2:11][O:12][c:13]1[cH:14][c:15]2[c:16]([cH:29][cH:30]1)[N:17]([CH2:27][CH3:28])[C:18](=[O:26])[C:19]([CH3:24])([CH3:25])[C:20](=[O:23])[N:21]2[CH3:22].[OH2:47]>>[NH:8]([CH2:9][CH2:10][CH2:11][O:12][c:13]1[cH:14][c:15]2[c:16]([cH:29][cH:30]1)[N:17]([CH2:27][CH3:28])[C:18](=[O:26])[C:19]([CH3:24])([CH3:25])[C:20](=[O:23])[N:21]2[CH3:22])[S:40]([c:35]1[c:34]([N+:31](=[O:32])[O-:33])[cH:39][cH:38][cH:37][cH:36]1)(=[O:41])=[O:42]