HRID1151042

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

HCID16749024

未命名化合物

PRODUCTS

生成物

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

HCID16749547

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ad5da652215481088b789558ad042bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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]([C:33]([F:34])([F:35])[F:36])[cH:27][c:28]([CH2:31][Cl:32])[cH:29][cH:30]1.[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[H-:1].[Na+:2].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:48].[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]([C:33]([F:34])([F:35])[F:36])[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