HRID1133148

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31374

Dimethylacetamide

C4H9NO

HCID102394

3-Methyl-2-butenoyl chloride

C5H7ClO

结构：Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(N)cn4n3)ccc2C)n(C)n1

HCID57505636

未命名化合物

PRODUCTS

生成物

结构：CC(C)=CC(=O)Nc1cn2nc(Oc3ccc(C)c(NC(=O)c4cc(C)nn4C)c3)ccc2n1

HCID57505645

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-afac0df0d85c4a26ad4cf5e49da8cc1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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