HRID136963

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)N1CCC(O[Si](C)(C)C(C)(C)C)C1C=O

HCID14735135

未命名化合物

HCID21875413

4-Amino-2-chloro-3-methylbenzonitrile

C8H7ClN2

PRODUCTS

生成物

结构：Cc1c(NCC2C(O[Si](C)(C)C(C)(C)C)CCN2C(=O)OC(C)(C)C)ccc(C#N)c1Cl

HCID60066968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f795eef5f0e4079bb94946133ff3ad9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH:21]=[O:22])[CH:10]([O:13][Si:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:11][CH2:12]1.[C:34]([OH:35])(=[O:36])[CH3:37].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[Cl:43][CH2:44][Cl:45].[NH2:23][c:24]1[c:25]([CH3:33])[c:26]([Cl:32])[c:27]([C:28]#[N:29])[cH:30][cH:31]1.[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:21][NH:23][c:24]2[c:25]([CH3:33])[c:26]([Cl:32])[c:27]([C:28]#[N:29])[cH:30][cH:31]2)[CH:10]([O:13][Si:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:11][CH2:12]1