HRID209137

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：C[Si](C)(C)C#CC(=O)C(c1cccc(-c2ccc(F)cc2F)n1)c1c(F)cc(C#N)cc1F

HCID57700365

未命名化合物

PRODUCTS

生成物

结构：C#CC(=O)C(c1cccc(-c2ccc(F)cc2F)n1)c1c(F)cc(C#N)cc1F

HCID57700375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03d09e80a9ef420baad03dc1f417fcad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:36]([N+:37]([CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH3:52].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[F-:35].[F:1][c:2]1[c:3](-[c:9]2[cH:10][cH:11][cH:12][c:13]([CH:15]([C:16]([C:17]#[C:18][Si:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[c:24]3[c:25]([F:33])[cH:26][c:27]([C:28]#[N:29])[cH:30][c:31]3[F:32])[n:14]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[OH2:34]>>[F:1][c:2]1[c:3](-[c:9]2[cH:10][cH:11][cH:12][c:13]([CH:15]([C:16]([C:17]#[CH:18])=[O:23])[c:24]3[c:25]([F:33])[cH:26][c:27]([C:28]#[N:29])[cH:30][c:31]3[F:32])[n:14]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1