HRID281144

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID31374

Dimethylacetamide

C4H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID49788389

未命名化合物

结构：Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)ccc1F

HCID57505446

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)ccc1F)c1ccn(Cc2ccccc2)c1

HCID57505465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-094bd821db8846f4a62352e15d607182
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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