HRID150894

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

HCID17989288

未命名化合物

PRODUCTS

生成物

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

HCID68770969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15244f2c1d68483884c24b0e05b0e8fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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