HRID1203947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7401

4-Methoxybenzenesulphonyl chloride

C7H7ClO3S

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CC(C)(C)OC(=O)C(c1ccccc1)n1c(=O)[nH]c2ccc(C#N)cc21

HCID86642497

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)OC(C)(C)C)c3ccccc3)c3cc(C#N)ccc32)cc1

HCID86642498

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c57c1a0c9077409aa84552cfa5221ae8
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

[C:13](#[N:14])[c:15]1[cH:16][cH:17][c:18]2[c:19]([n:20]([CH:24]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:21](=[O:23])[nH:22]2)[cH:38]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[Cl:12])[cH:7][cH:8]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:47][N:48]([c:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1)[CH3:55].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH2:46]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[n:22]2[c:18]3[cH:17][cH:16][c:15]([C:13]#[N:14])[cH:38][c:19]3[n:20]([CH:24]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:21]2=[O:23])[cH:7][cH:8]1