HRID187024

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID21875413

4-Amino-2-chloro-3-methylbenzonitrile

C8H7ClN2

结构：CC(C)(C)OC(=O)N1CCCC(O[Si](C)(C)C(C)(C)C)C1C=O

HCID72553166

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NCC2C(O[Si](C)(C)C(C)(C)C)CCCN2C(=O)OC(C)(C)C)ccc(C#N)c1Cl

HCID178430435

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8f03fe645e9432c9c44d9d101e3feb6
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH:22]=[O:23])[CH:10]([O:14][Si:15]([CH3:16])([CH3:17])[C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:11][CH2:12][CH2:13]1.[C:35]([OH:36])(=[O:37])[CH3:38].[NH2:24][c:25]1[c:26]([CH3:34])[c:27]([Cl:33])[c:28]([C:29]#[N:30])[cH:31][cH:32]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:22][NH:24][c:25]2[c:26]([CH3:34])[c:27]([Cl:33])[c:28]([C:29]#[N:30])[cH:31][cH:32]2)[CH:10]([O:14][Si:15]([CH3:16])([CH3:17])[C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:11][CH2:12][CH2:13]1