HRID2324309

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

结构：COc1c(C(C)CC(O)(C=O)C(F)(F)F)ccc(Cl)c1F

HCID86615319

未命名化合物

PRODUCTS

生成物

结构：COc1c(C(C)CC(O)(C=Nc2cc(F)cc3nc(C)ncc23)C(F)(F)F)ccc(Cl)c1F

HCID86615320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-071ad779c07f49fcb904bac44c80b667
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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