HRID686892

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8476

Benzenesulfonyl chloride, 3-nitro-

C6H4ClNO4S

HCID84468

Trifluoroacetate

C2F3O2-

结构：NCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

HCID18423820

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)O)OCC1c2ccccc2-c2ccccc21

HCID178523340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6dee582843d243d3be905ed20f68d8f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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