HRID2127707

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

4 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID23994

Zinc

HCID84399

3,3,5,5-Tetramethylcyclohexanone

C10H18O

HCID114942

Titanium(4+)

Ti+4

结构：COc1ccc(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1

HCID68654389

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1

HCID68654350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5fcb8030cc7f463e904e18d2c224f492
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:12][O:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[c:20]2[cH:21][cH:22][c:23]([NH:26][S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:24][cH:25]2)[cH:36][cH:37]1.[CH3:1][C:2]1([CH3:11])[CH2:3][C:4](=[O:10])[CH2:5][C:6]([CH3:8])([CH3:9])[CH2:7]1.[Cl-:44].[Cl-:45].[Cl-:46].[Cl-:47].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH2:43].[Ti+4:48].[Zn:49]>>[CH3:1][C:2]1([CH3:11])[CH2:3][C:4](=[C:18]([c:17]2[cH:16][cH:15][c:14]([O:13][CH3:12])[cH:37][cH:36]2)[c:20]2[cH:21][cH:22][c:23]([NH:26][S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:24][cH:25]2)[CH2:5][C:6]([CH3:8])([CH3:9])[CH2:7]1