HRID122905

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

HCID12341002

未命名化合物

结构：COc1cc(C)ccc1C(C)(C)CC(O)(C=O)C(F)(F)F

HCID17989127

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)cc2c1C(C)(C)CC(O)(C(F)(F)F)C2Nc1cccc2c(=O)[nH]ncc12

HCID68680572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b3cc1679ea14482b0c30d3eaa9890e3
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

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