HRID1228462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID31275

1,4-Dioxane

C4H8O2

HCID166653

Hydride

H-

结构：C=CCOC(=O)C(CCc1ccc(C#N)cc1)C(=O)OCC=C

HCID57971936

未命名化合物

结构：CC(C)[Si](Oc1c(F)cc(CBr)cc1F)(C(C)C)C(C)C

HCID57971946

未命名化合物

PRODUCTS

生成物

结构：C=CCOC(=O)C(CCc1ccc(C#N)cc1)(Cc1cc(F)c(O[Si](C(C)C)(C(C)C)C(C)C)c(F)c1)C(=O)OCC=C

HCID57971937

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd33ca7937a04bdc8bb5cdeff83c083a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:9][CH2:10][CH:11]([C:12](=[O:13])[O:14][CH2:15][CH:16]=[CH2:17])[C:18](=[O:19])[O:20][CH2:21][CH:22]=[CH2:23])[cH:7][cH:8]1.[Cl-:47].[F:26][c:27]1[cH:28][c:29]([CH2:30][Br:31])[cH:32][c:33]([F:46])[c:34]1[O:35][Si:36]([CH:37]([CH3:38])[CH3:39])([CH:40]([CH3:41])[CH3:42])[CH:43]([CH3:44])[CH3:45].[H-:24].[NH4+:48].[Na+:25].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:9][CH2:10][C:11]([C:12](=[O:13])[O:14][CH2:15][CH:16]=[CH2:17])([C:18](=[O:19])[O:20][CH2:21][CH:22]=[CH2:23])[CH2:30][c:29]2[cH:28][c:27]([F:26])[c:34]([O:35][Si:36]([CH:37]([CH3:38])[CH3:39])([CH:40]([CH3:41])[CH3:42])[CH:43]([CH3:44])[CH3:45])[c:33]([F:46])[cH:32]2)[cH:7][cH:8]1