HRID1204825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7918

Acetic anhydride

C4H6O3

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CCC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C

HCID23642319

A-867744

C20H19ClN2O3S

PRODUCTS

生成物

结构：CCC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(=O)(=O)NC(C)=O)cc2)c1C

HCID24894448

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cba5d232a0e84d849a3e4b46822c27fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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