HRID676767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID11095863

tert-Butyl (3-aminopyridin-4-yl)carbamate

C10H15N3O2

HCID22711144

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccncc1NC(=O)c1ccc(-c2ccncc2)cc1

HCID12069544

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8a1658e902e4b2f8f7a5df6c1cda6cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28](=[O:29])[NH:30][c:31]1[c:32]([NH2:37])[cH:33][n:34][cH:35][cH:36]1.[CH2:40]([Cl:41])[Cl:42].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[Cl:17][C:18]([C:19]([Cl:20])=[O:21])=[O:22].[Na+:16].[Na+:39].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:38].[cH:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1.[n:1]1[cH:2][cH:3][c:4](-[c:7]2[cH:8][cH:9][c:10]([C:11](=[O:12])[O-:13])[cH:14][cH:15]2)[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4](-[c:7]2[cH:8][cH:9][c:10]([C:11](=[O:13])[NH:37][c:32]3[c:31]([NH:30][C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:29])[cH:36][cH:35][n:34][cH:33]3)[cH:14][cH:15]2)[cH:5][cH:6]1