HRID959037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2072

5-aminoisoquinolin-1(2H)-one

C9H8N2O

HCID114942

Titanium(4+)

Ti+4

HCID4574913

未命名化合物

4 次

结构：CCC(CC(O)(C=O)C(F)(F)F)c1ccc(F)c(C)c1OC

HCID87219388

未命名化合物

PRODUCTS

生成物

结构：CCC(CC(O)(C=Nc1cccc2c(=O)[nH]ccc12)C(F)(F)F)c1ccc(F)c(C)c1OC

HCID178447122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2fc8216b65f497a8c73d8e0ec502261
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:35][C:36]([CH3:37])([O-:38])[CH3:39].[CH3:41][C:42]([CH3:43])([O-:44])[CH3:45].[CH3:46][C:47]([CH3:48])([O-:49])[CH3:50].[CH3:51][C:52]([CH3:53])([O-:54])[CH3:55].[F:1][c:2]1[c:3]([CH3:22])[c:4]([O:20][CH3:21])[c:5]([CH:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])[CH2:18][CH3:19])[cH:6][cH:7]1.[NH2:23][c:24]1[c:25]2[cH:26][cH:27][nH:28][c:29](=[O:34])[c:30]2[cH:31][cH:32][cH:33]1.[Ti+4:40]>>[F:1][c:2]1[c:3]([CH3:22])[c:4]([O:20][CH3:21])[c:5]([CH:8]([CH2:9][C:10]([CH:11]=[N:23][c:24]2[c:25]3[cH:26][cH:27][nH:28][c:29](=[O:34])[c:30]3[cH:31][cH:32][cH:33]2)([C:13]([F:14])([F:15])[F:16])[OH:17])[CH2:18][CH3:19])[cH:6][cH:7]1