HRID944455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID10307909

Benzonitrile, 4-(4H-1,2,4-triazol-4-ylamino)-

C9H7N5

HCID16749114

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CN(c2ccc(C#N)cc2)n2cnnc2)cc(Cl)c1OCc1ccccc1

HCID16749548

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad6db4bf50f341d8b35fe204c86f4d7a
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[O:24][c:25]1[c:26]([Cl:35])[cH:27][c:28]([CH2:33][Cl:34])[cH:29][c:30]1[O:31][CH3:32].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[H-:1].[Na+:2].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:47].[n:3]1[n:4][cH:5][n:6]([NH:8][c:9]2[cH:10][cH:11][c:12]([C:13]#[N:14])[cH:15][cH:16]2)[cH:7]1>>[n:3]1[n:4][cH:5][n:6]([N:8]([c:9]2[cH:10][cH:11][c:12]([C:13]#[N:14])[cH:15][cH:16]2)[CH2:33][c:28]2[cH:27][c:26]([Cl:35])[c:25]([O:24][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:30]([O:31][CH3:32])[cH:29]2)[cH:7]1