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

N,N-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

生成物

结构：Cc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=O)c2ccncc2)CC1

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