HRID1208609

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID10307909

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

C9H7N5

HCID10968968

4-(Bromomethyl)-2-chloro-1-(phenylmethoxy)benzene

C14H12BrClO

PRODUCTS

生成物

结构：N#Cc1ccc(N(Cc2ccc(OCc3ccccc3)c(Cl)c2)n2cnnc2)cc1

HCID21976889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a86a06ffdb834462a19cc66faa2769f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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:33])[cH:27][c:28]([CH2:31][Br:32])[cH:29][cH:30]1.[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[H-:1].[Na+:2].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[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)[CH2:31][c:28]2[cH:27][c:26]([Cl:33])[c:25]([O:24][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:30][cH:29]2)[cH:7]1