HRID91513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7398

Benzenesulfonyl chloride, 4-chloro-

C6H4Cl2O2S

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)C(N)Cc1ccc(OCCCC(=O)O)cc1

HCID18324753

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(Cc1ccc(OCCCC(=O)O)cc1)NS(=O)(=O)c1ccc(Cl)cc1

HCID18324756

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-caf09e0e45454a3e96ea1bc8656e1aa4
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

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