HRID1143393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15413

Methyl tert-butyl ether

C5H12O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID11708267

Bistrimethylsilylacetamid

C8H21NOSi2

结构：CC(C)(C)[Si](C)(C)OC(CCC(C(=O)N1C(=O)OCC1c1ccccc1)C(Nc1ccc(F)cc1)c1cccc(C#N)c1)c1ccc(F)cc1

HCID22252068

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OC(CCC1C(=O)N(c2ccc(F)cc2)C1c1cccc(C#N)c1)c1ccc(F)cc1

HCID22252076

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05530c1103374af88715438b58706a83
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][CH2:9][CH:10]([CH:11]([NH:12][c:13]1[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]1)[c:20]1[cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26][cH:27]1)[C:28](=[O:29])[N:30]1[CH:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:38][O:39][C:40]1=[O:41])[c:42]1[cH:43][cH:44][c:45]([F:48])[cH:46][cH:47]1)([CH3:49])[CH3:50].[CH3:51][Si:52]([CH:53]([Si:54]([CH3:55])([CH3:56])[CH3:57])[C:58]([NH2:59])=[O:60])([CH3:61])[CH3:62].[CH3:64][CH2:65][CH2:66][CH2:67][N+:68]([CH2:69][CH2:70][CH2:71][CH3:72])([CH2:73][CH2:74][CH2:75][CH3:76])[CH2:77][CH2:78][CH2:79][CH3:80].[CH3:81][O:82][C:83]([CH3:84])([CH3:85])[CH3:86].[F-:63]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][CH2:9][CH:10]1[CH:11]([c:20]2[cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26][cH:27]2)[N:12]([c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[C:28]1=[O:29])[c:42]1[cH:43][cH:44][c:45]([F:48])[cH:46][cH:47]1)([CH3:49])[CH3:50]