HRID89249

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

HCID15719078

5-Aminoquinolin-2(1H)-one

C9H8N2O

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=Nc2cccc3[nH]c(=O)ccc23)C(F)(F)F)ccc(Cl)c1F

HCID66969477

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0735dff85d74fadaee48a6b093ae798
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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].[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][cH:26][c:27](=[O:33])[nH:28][c:29]2[cH:30][cH:31][cH:32]1.[Ti+4:46]>>[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]=[N:22][c:23]2[c:24]3[cH:25][cH:26][c:27](=[O:33])[nH:28][c:29]3[cH:30][cH:31][cH:32]2)([C:13]([F:14])([F:15])[F:16])[OH:17])[CH3:18])[cH:6][cH:7]1