HRID1214770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID31374

Dimethylacetamide

C4H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID99873

2-Methylcyclopropane-1-carboxylic acid

C5H8O2

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)C5CC5C)cn4n3)ccc2F)n(C)n1

HCID57505604

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d385d07a38b54ca9b4dca8109dab4da7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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