HRID664561

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

HCID17985041

7-Fluoro-2-methylquinazolin-5-amine

C9H8FN3

HCID17989288

未命名化合物

PRODUCTS

生成物

结构：COc1c(F)cccc1C(C)CC(O)(C=Nc1cc(F)cc2nc(C)ncc12)C(F)(F)F

HCID68770124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5efa27e8ffe4deb97bf20496160f496
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

[CH3:34][CH2:35][O-:36].[CH3:37][CH2:38][O-:39].[CH3:40][CH2:41][O-:42].[CH3:43][CH2:44][O-:45].[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]([CH3:33])[n:27][c:28]2[cH:29][c:30]([F:32])[cH:31]1.[Ti+4:46]>>[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]([CH3:33])[n:27][c:28]3[cH:29][c:30]([F:32])[cH:31]2)([C:13]([F:14])([F:15])[F:16])[OH:17])[CH3:18])[cH:5][cH:6][cH:7]1