HRID1562015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8028

Tetrahydrofuran

C4H8O

HCID15413

Methyl tert-butyl ether

C5H12O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

反应SMILES：COc1ccc(C(Nc2ccc(C#N)cc2)C(CCC(O[Si](C)(C)C(C)(C)C)c2ccc(F)cc2)C(=O)N2C(=O)OCC2c2ccccc2)cc1

HCID12111619

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(C2C(CCC(O[Si](C)(C)C(C)(C)C)c3ccc(F)cc3)C(=O)N2c2ccc(C#N)cc2)cc1

HCID12111620

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-af093b166bec4deab1cd56fcd494e824
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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