HRID1562981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID72894

2-Aminobenzenesulfonamide

C6H8N2O2S

结构：CCCC1(CCC)C(=O)C(C(=O)OCC)=C(O)c2ccccc21

HCID54724640

未命名化合物

PRODUCTS

生成物

结构：CCCC1(CCC)C(=O)C(C(=O)Nc2ccccc2S(N)(=O)=O)=C(O)c2ccccc21

HCID54723969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-979715ec720f4558b2bb1765594f3404
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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