HRID1210977

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID114942

Titanium(4+)

Ti+4

HCID4574913

未命名化合物

4 次

HCID66969438

未命名化合物

结构：CCC(CC(O)(C=O)C(F)(F)F)c1ccc(F)c(Cl)c1OC

HCID86615336

未命名化合物

PRODUCTS

生成物

结构：CCC(CC(O)(C=Nc1cc(F)cc2[nH]c(=O)ccc12)C(F)(F)F)c1ccc(F)c(Cl)c1OC

HCID178447129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2ae65ea394d439680d7dc61a3229cf7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:36][C:37]([CH3:38])([O-:39])[CH3:40].[CH3:42][C:43]([CH3:44])([O-:45])[CH3:46].[CH3:47][C:48]([CH3:49])([O-:50])[CH3:51].[CH3:52][C:53]([CH3:54])([O-:55])[CH3:56].[Cl:1][c:2]1[c:3]([O:21][CH3:22])[c:4]([CH:9]([CH2:10][C:11]([CH:12]=[O:13])([C:14]([F:15])([F:16])[F:17])[OH:18])[CH2:19][CH3:20])[cH:5][cH:6][c:7]1[F:8].[NH2:23][c:24]1[c:25]2[cH:26][cH:27][c:28](=[O:35])[nH:29][c:30]2[cH:31][c:32]([F:34])[cH:33]1.[Ti+4:41]>>[Cl:1][c:2]1[c:3]([O:21][CH3:22])[c:4]([CH:9]([CH2:10][C:11]([CH:12]=[N:23][c:24]2[c:25]3[cH:26][cH:27][c:28](=[O:35])[nH:29][c:30]3[cH:31][c:32]([F:34])[cH:33]2)([C:14]([F:15])([F:16])[F:17])[OH:18])[CH2:19][CH3:20])[cH:5][cH:6][c:7]1[F:8]