HRID135805

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

HCID17989189

未命名化合物

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

HCID87219388

未命名化合物

PRODUCTS

生成物

结构：CCC(CC(O)(C=Nc1ccc(F)c2[nH]c(=O)ccc12)C(F)(F)F)c1ccc(F)c(C)c1OC

HCID178447126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5abc93ae683545a4bdf054ac35fc0250
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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].[F:1][c:2]1[c:3]([CH3:22])[c:4]([O:20][CH3:21])[c:5]([CH:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])[CH2:18][CH3:19])[cH:6][cH:7]1.[NH2:23][c:24]1[c:25]2[cH:26][cH:27][c:28](=[O:35])[nH:29][c:30]2[c:31]([F:34])[cH:32][cH:33]1.[Ti+4:41]>>[F:1][c:2]1[c:3]([CH3:22])[c:4]([O:20][CH3:21])[c:5]([CH:8]([CH2:9][C:10]([CH:11]=[N:23][c:24]2[c:25]3[cH:26][cH:27][c:28](=[O:35])[nH:29][c:30]3[c:31]([F:34])[cH:32][cH:33]2)([C:13]([F:14])([F:15])[F:16])[OH:17])[CH2:18][CH3:19])[cH:6][cH:7]1