HRID2125426

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31374

Dimethylacetamide

C4H9NO

HCID77637

Cyclopropanecarbonyl chloride

C4H5ClO

结构：Cc1cc(NC(=O)c2cc(C)nn2C)cc(Oc2ccc3nc(N)nn3c2)c1

HCID57749338

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NC(=O)c2cc(C)nn2C)cc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)c1

HCID57749346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9ae3445dab24a008d3b08a9fcdbc802
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:35][N:36]([CH3:37])[C:38](=[O:39])[CH3:40].[CH:29]1([C:32](=[O:33])[Cl:34])[CH2:30][CH2:31]1.[NH2:1][c:2]1[n:3][n:4]2[c:5]([cH:6][cH:7][c:8]([O:10][c:11]3[cH:12][c:13]([NH:18][C:19](=[O:20])[c:21]4[cH:22][c:23]([CH3:27])[n:24][n:25]4[CH3:26])[cH:14][c:15]([CH3:17])[cH:16]3)[cH:9]2)[n:28]1>>[NH:1]([c:2]1[n:3][n:4]2[c:5]([cH:6][cH:7][c:8]([O:10][c:11]3[cH:12][c:13]([NH:18][C:19](=[O:20])[c:21]4[cH:22][c:23]([CH3:27])[n:24][n:25]4[CH3:26])[cH:14][c:15]([CH3:17])[cH:16]3)[cH:9]2)[n:28]1)[C:32]([CH:29]1[CH2:30][CH2:31]1)=[O:33]