HRID2335561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(N)c(C3=CCCCC3)n2)CC1

HCID59128579

未命名化合物

HCID59128584

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)cn3COCC[Si](C)(C)C)c(C3=CCCCC3)n2)CC1

HCID59128590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce58eccfc7324271a5a22b5c9cd4e920
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34](=[O:35])[N:36]1[CH2:37][CH2:38][CH:39]([c:42]2[n:43][c:44]([C:49]3=[CH:50][CH2:51][CH2:52][CH2:53][CH2:54]3)[c:45]([NH2:48])[cH:46][cH:47]2)[CH2:40][CH2:41]1.[C:2](#[N:3])[c:4]1[n:5][c:6]([C:17](=[O:18])[O-:19])[n:7]([CH2:9][O:10][CH2:11][CH2:12][Si:13]([CH3:14])([CH3:15])[CH3:16])[cH:8]1.[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[Cl:55][CH2:56][Cl:57].[K+:1]>>[C:2](#[N:3])[c:4]1[n:5][c:6]([C:17](=[O:19])[NH:48][c:45]2[c:44]([C:49]3=[CH:50][CH2:51][CH2:52][CH2:53][CH2:54]3)[n:43][c:42]([CH:39]3[CH2:38][CH2:37][N:36]([C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:35])[CH2:41][CH2:40]3)[cH:47][cH:46]2)[n:7]([CH2:9][O:10][CH2:11][CH2:12][Si:13]([CH3:14])([CH3:15])[CH3:16])[cH:8]1