HRID684650

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

HCID16747838

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(N(Cc2ccc(F)c(OC(=O)c3ccccc3)c2)n2cnnc2)cc1

HCID16749221

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78e4b51b1e1d4041a351f0efae5459d7
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

[Br:17][CH2:18][c:19]1[cH:20][cH:21][c:22]([F:34])[c:23]([O:25][C:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[O:33])[cH:24]1.[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[H-:1].[Na+:2].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:46].[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)[CH2:18][c:19]2[cH:20][cH:21][c:22]([F:34])[c:23]([O:25][C:26]([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)=[O:33])[cH:24]2)[cH:7]1