HRID820051

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7972

4-Methylmorpholine

C5H11NO

HCID8471

Triethylamine

C6H15N

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID433635

未命名化合物

HCID178507442

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(CCC(N)=O)C(=O)Nc1ccc(-c2ncc(C(=O)O)c(O)n2)cc1

HCID178453471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-976b9ae12a824299b990433c885379ba
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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