HRID1565105

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID6385

tert-Butylamine

C4H11N

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID69055516

未命名化合物

PRODUCTS

产物

HCID69064146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e22a5037a3894e5ab3dbb37cae6c424d
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

[C:34]([Cl:35])(=[O:36])[C:37]([Cl:38])=[O:39].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:40][C:41]([CH3:42])([CH3:43])[NH2:44].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([n:9]2[c:10]([CH:22]=[CH:23][C:24](=[O:25])[OH:26])[c:11]([C:20]#[N:21])[c:12]3[c:13]2[n:14][c:15]([CH3:19])[cH:16][c:17]3[CH3:18])[c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[cH:6][cH:7]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:57]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([n:9]2[c:10]([CH:22]=[CH:23][C:24](=[O:26])[NH:44][C:41]([CH3:40])([CH3:42])[CH3:43])[c:11]([C:20]#[N:21])[c:12]3[c:13]2[n:14][c:15]([CH3:19])[cH:16][c:17]3[CH3:18])[c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[cH:6][cH:7]1