HRID186493

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31374

Dimethylacetamide

C4H9NO

HCID62325

2-Methylpropanoyl chloride

C4H7ClO

结构：Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(N)cn4n3)ccc2F)n(C)n1

HCID57505568

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C(C)C)cn4n3)ccc2F)n(C)n1

HCID57505566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8eba48130d2e44f493cb537f7767b404
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:30][CH:31]([C:32](=[O:33])[Cl:34])[CH3:35].[CH3:36][N:37]([CH3:38])[C:39](=[O:40])[CH3:41].[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]([F: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]([F: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:32]([CH:31]([CH3:30])[CH3:35])=[O:33]