HRID1536946

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

HCID12510971

未命名化合物

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：COC(=O)C1CC1C(=O)Nc1cn2nc(Oc3ccc(C)c(NC(=O)c4cc(C)nn4C)c3)ccc2n1

HCID57505658

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1eac1a99affd4f5c8c9527bbac35b79d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH:6]([C:8](=[O:9])[OH:10])[CH2:7]1.[CH3:51][N:52]([CH3:53])[C:54](=[O:55])[CH3:56].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[Cl:16][C:17]([C:18]([Cl:19])=[O:20])=[O:21].[ClH:22].[NH2:23][c:24]1[n:25][c:26]2[n:27]([n:28][c:29]([O:32][c:33]3[cH:34][cH:35][c:36]([CH3:49])[c:37]([NH:39][C:40](=[O:41])[c:42]4[cH:43][c:44]([CH3:48])[n:45][n:46]4[CH3:47])[cH:38]3)[cH:30][cH:31]2)[cH:50]1.[O:11]1[CH2:12][CH2:13][CH2:14][CH2:15]1>>[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH:6]([C:8](=[O:10])[NH:23][c:24]2[n:25][c:26]3[n:27]([n:28][c:29]([O:32][c:33]4[cH:34][cH:35][c:36]([CH3:49])[c:37]([NH:39][C:40](=[O:41])[c:42]5[cH:43][c:44]([CH3:48])[n:45][n:46]5[CH3:47])[cH:38]4)[cH:30][cH:31]3)[cH:50]2)[CH2:7]1