HRID1554933

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID114942

Titanium(4+)

Ti+4

HCID119440

1-Hydroxyethyl radical

C2H5O-

4 次

HCID17985058

2-Methylquinazolin-5-amine

C9H9N3

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

HCID86615328

未命名化合物

PRODUCTS

生成物

结构：COc1c(F)cccc1C(CC(O)(C=Nc1cccc2nc(C)ncc12)C(F)(F)F)C(C)C

HCID66969534

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e124183d8924b749498ebbdad0bce82
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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