HRID829665

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID114942

Titanium(4+)

Ti+4

HCID119440

1-Hydroxyethyl radical

C2H5O-

4 次

HCID17985058

2-Methylquinazolin-5-amine

C9H9N3

结构：CCCC(CC(O)(C=O)C(F)(F)F)c1cccc(F)c1OC

HCID86615327

未命名化合物

PRODUCTS

生成物

结构：CCCC(CC(O)(C=Nc1cccc2nc(C)ncc12)C(F)(F)F)c1cccc(F)c1OC

HCID66969612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-056cfde50ee845288c301ad2391ee677
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:43][CH2:44][O-:45].[CH3:46][CH2:47][O-:48].[CH3:49][CH2:50][O-:51].[CH3:52][CH2:53][O-:54].[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])[CH2:18][CH2:19][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.[OH2:35].[Ti+4:55]>>[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])[CH2:18][CH2:19][CH3:20])[cH:5][cH:6][cH:7]1