HRID139430

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID4589692

3-Methylisoxazole-4-carboxylic acid

C5H5NO3

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

HCID57505446

未命名化合物

PRODUCTS

生成物

结构：Cc1nocc1C(=O)Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)ccc1F

HCID57505539

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a7f9f6b5fb944b9adff5f02a58daa9c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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