HRID1552633

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

HCID16747840

未命名化合物

结构：N#Cc1ccc(N(Cc2cccc(OCc3ccccc3)c2)n2cnnc2)cc1

HCID21976891

未命名化合物

PRODUCTS

生成物

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

HCID16749223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11bb6e4e29984892b6004603256ac5c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:32](#[N:33])[c:34]1[cH:35][cH:36][c:37]([NH:40][n:41]2[cH:42][n:43][n:44][cH:45]2)[cH:38][cH:39]1.[C:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)(=[O:53])[O:54][c:55]1[cH:56][c:57]([CH2:58][Br:59])[cH:60][cH:61][c:62]1[Cl:63].[CH2:1]([O:2][c:3]1[cH:4][c:5]([CH2:9][N:10]([c:11]2[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18]2)[n:19]2[cH:20][n:21][n:22][cH:23]2)[cH:6][cH:7][cH:8]1)[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[CH3:69][CH2:70][O:71][C:72]([CH3:73])=[O:74].[H-:31].[Na+:30].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68]>>[C:32](#[N:33])[c:34]1[cH:35][cH:36][c:37]([N:40]([n:41]2[cH:42][n:43][n:44][cH:45]2)[CH2:58][c:57]2[cH:56][c:55]([O:54][C:46]([c:47]3[cH:48][cH:49][cH:50][cH:51][cH:52]3)=[O:53])[c:62]([Cl:63])[cH:61][cH:60]2)[cH:38][cH:39]1