HRID1203479

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

4 次

HCID6344

Dichloromethane

CH2Cl2

HCID114942

Titanium(4+)

Ti+4

HCID17985045

未命名化合物

结构：COc1c(Cl)cccc1C(C)(C)CC(O)(C=O)C(F)(F)F

HCID17989137

未命名化合物

PRODUCTS

生成物

结构：COc1c(Cl)ccc2c1C(C)(C)CC(O)(C(F)(F)F)C2Nc1cccc2c(=O)n(C)ncc12

HCID68678195

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-defe828b73da4440895cf782ab313313
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

[Cl-:38].[Cl-:39].[Cl-:40].[Cl-:41].[Cl:1][c:2]1[c:3]([O:20][CH3:21])[c:4]([C:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])([CH3:18])[CH3:19])[cH:5][cH:6][cH:7]1.[Cl:35][CH2:36][Cl:37].[NH2:22][c:23]1[c:24]2[cH:25][n:26][n:27]([CH3:34])[c:28](=[O:33])[c:29]2[cH:30][cH:31][cH:32]1.[Ti+4:42]>>[Cl:1][c:2]1[c:3]([O:20][CH3:21])[c:4]2[c:5]([cH:6][cH:7]1)[CH:11]([NH:22][c:23]1[c:24]3[cH:25][n:26][n:27]([CH3:34])[c:28](=[O:33])[c:29]3[cH:30][cH:31][cH:32]1)[C:10]([C:13]([F:14])([F:15])[F:16])([OH:17])[CH2:9][C:8]2([CH3:18])[CH3:19]