HRID288356

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID102902

Chloro(phenyl)acetyl chloride

C8H6Cl2O

结构：COc1ccc(CNC(C)(CO[Si](C)(C)C(C)(C)C)c2cc(Br)ccc2F)cc1

HCID77200578

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(C(=O)C(Cl)c2ccccc2)C(C)(CO[Si](C)(C)C(C)(C)C)c2cc(Br)ccc2F)cc1

HCID178491199

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39219b3ed6114c2aa5cfaec31181fa52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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