HRID99421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8476

Benzenesulfonyl chloride, 3-nitro-

C6H4ClNO4S

HCID21885

2-Dimethylaminopyridine

C7H10N2

结构：CCC(CC)ONCC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12

HCID178447360

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)ON(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1cccc([N+](=O)[O-])c1

HCID178447363

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f4833cd5e7c4c1ead5ea64b20e835a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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