HRID664486

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)C(F)(F)F

HCID17989161

未命名化合物

PRODUCTS

生成物

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

HCID86599929

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcc1a0b85c1942d29608ff2321485732
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][O:2][c:3]1[c:4]([C:10]([CH2:11][C:12]([CH:13]=[O:14])([C:15]([C:16]([F:17])([F:18])[F:19])([F:20])[F:21])[OH:22])([CH3:23])[CH3:24])[cH:5][cH:6][c:7]([CH3:9])[cH:8]1.[Cl-:40].[Cl-:41].[Cl-:42].[Cl-:43].[Cl:37][CH2:38][Cl:39].[NH2:25][c:26]1[c:27]2[cH:28][n:29][nH:30][c:31](=[O:36])[c:32]2[cH:33][cH:34][cH:35]1.[Ti+4:44]>>[CH3:1][O:2][c:3]1[c:4]2[c:5]([cH:6][c:7]([CH3:9])[cH:8]1)[CH:13]([NH:25][c:26]1[c:27]3[cH:28][n:29][nH:30][c:31](=[O:36])[c:32]3[cH:33][cH:34][cH:35]1)[C:12]([C:15]([C:16]([F:17])([F:18])[F:19])([F:20])[F:21])([OH:22])[CH2:11][C:10]2([CH3:23])[CH3:24]