HRID97423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

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

HCID54724640

未命名化合物

HCID67063986

未命名化合物

PRODUCTS

生成物

结构：CCCC1(CCC)C(=O)C(C(=O)Nc2ccc(OCc3ccccc3)cc2S(N)(=O)=O)=C(O)c2ccccc21

HCID68871690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-261d2498e96e4da486da2ce8a1a1ccc4
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

[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[NH2:24][c:25]1[c:26]([S:39](=[O:40])(=[O:41])[NH2:42])[cH:27][c:28]([O:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[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:39](=[O:40])(=[O:41])[NH2:42])[cH:27][c:28]([O:31][CH2:32][c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[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