HRID669289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID28928

Chloro(1,1-dimethylethyl)dimethylsilane

C6H15ClSi

HCID166653

Hydride

H-

HCID520769

2-(Trifluoromethyl)oxirane

C3H3F3O

结构：COc1ccc(C=Nc2cc(F)cc3[nH]c(=O)ccc23)c(Cl)c1F

HCID68537092

未命名化合物

结构：COc1ccc(C=Nc2cc(F)cc3c2ccc(=O)n3[Si](C)(C)C(C)(C)C)c(Cl)c1F

HCID68541025

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(Nc2cc(F)cc3[nH]c(=O)ccc23)C2(C(F)(F)F)CO2)c(Cl)c1F

HCID46222190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e607164e82a4e10ad5f8a31d5a626b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:27]([Si:28]([Cl:29])([CH3:30])[CH3:31])([CH3:32])([CH3:33])[CH3:34].[C:47]([Si:48]([CH3:49])([CH3:50])[n:51]1[c:52]2[c:53]([c:54]([N:55]=[CH:56][c:57]3[cH:58][cH:59][c:60]([O:61][CH3:62])[c:63]([F:64])[c:65]3[Cl:66])[cH:67][c:68]([F:69])[cH:70]2)[cH:71][cH:72][c:73]1=[O:74])([CH3:75])([CH3:76])[CH3:77].[CH2:42]([Li:43])[CH2:44][CH2:45][CH3:46].[CH2:78]1[O:79][CH2:80][CH2:81][CH2:82]1.[CH3:83][CH2:84][CH2:85][CH2:86][CH2:87][CH3:88].[CH3:89][CH2:90][O:91][CH2:92][CH3:93].[Cl:3][c:4]1[c:5]([CH:13]=[N:14][c:15]2[c:16]3[cH:17][cH:18][c:19](=[O:26])[nH:20][c:21]3[cH:22][c:23]([F:25])[cH:24]2)[cH:6][cH:7][c:8]([O:11][CH3:12])[c:9]1[F:10].[F:35][C:36]([CH:37]1[CH2:38][O:39]1)([F:40])[F:41].[H-:2].[Na+:1]>>[Cl:3][c:4]1[c:5]([CH:13]([NH:14][c:15]2[c:16]3[cH:17][cH:18][c:19](=[O:26])[nH:20][c:21]3[cH:22][c:23]([F:25])[cH:24]2)[C:37]2([C:36]([F:35])([F:40])[F:41])[CH2:38][O:39]2)[cH:6][cH:7][c:8]([O:11][CH3:12])[c:9]1[F:10]