HRID317754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID68320

Propanoic acid, 3-bromo-, ethyl ester

C5H9BrO2

HCID3280088

未命名化合物

结构：CC(C)(C)[Si](C)(C)OCCC(C#N)c1ccc(Cl)c(Cl)c1

HCID18464799

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCC(C#N)(CCO[Si](C)(C)C(C)(C)C)c1ccc(Cl)c(Cl)c1

HCID18464536

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e381b10f8a8464fa0f0ec91d36b5b84
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:37][CH2:38][CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44].[CH3:27][Si:28]([N-:29][Si:30]([CH3:31])([CH3:32])[CH3:33])([CH3:34])[CH3:35].[Cl:1][c:2]1[cH:3][c:4]([CH:9]([C:10]#[N:11])[CH2:12][CH2:13][O:14][Si:15]([CH3:16])([CH3:17])[C:18]([CH3:19])([CH3:20])[CH3:21])[cH:5][cH:6][c:7]1[Cl:8].[Li+:36].[O:22]1[CH2:23][CH2:24][CH2:25][CH2:26]1.[OH2:45]>>[Cl:1][c:2]1[cH:3][c:4]([C:9]([C:10]#[N:11])([CH2:12][CH2:13][O:14][Si:15]([CH3:16])([CH3:17])[C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:38][CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44])[cH:5][cH:6][c:7]1[Cl:8]