HRID106170

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID5922

Isonicotinic acid

C6H5NO2

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl Acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID58996965

未命名化合物

PRODUCTS

产物

HCID58997194

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a92d5c9b07024aed82308000ad017c33
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:16][c:17]1[c:18]([CH2:23][N:24]([CH:25]2[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]2)[CH2:31][c:32]2[n:33][cH:34][cH:35][cH:36][c:37]2[CH3:38])[n:19][cH:20][cH:21][cH:22]1.[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:10][C:11]([C:12]([Cl:13])=[O:14])=[O:15].[Cl:48][CH2:49][Cl:50].[Na+:57].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH-:56].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][n:7][cH:8][cH:9]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][n:7][cH:8][cH:9]1)[N:28]1[CH2:27][CH2:26][CH:25]([N:24]([CH2:23][c:18]2[c:17]([CH3:16])[cH:22][cH:21][cH:20][n:19]2)[CH2:31][c:32]2[n:33][cH:34][cH:35][cH:36][c:37]2[CH3:38])[CH2:30][CH2:29]1