HRID935368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID3442239

未命名化合物

HCID18433630

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CNC(=O)OC(C)(C)C)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1

HCID67571752

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38866515a6ec4592a045c19ff8b1c20c
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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