HRID155768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID26255

Tetrafluoroborate

BF4-

HCID79587

4-Cyanophenylacetic acid

C9H7NO2

HCID81531

Diisopropylethylamine

C8H19N

HCID159644

Thiazole, 2-amino-4-(p-methoxyphenyl)-

C10H10N2OS

HCID2733287

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2csc(NC(=O)Cc3ccc(C#N)cc3)n2)cc1

HCID59164572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1b9bbdf696b4d5b8164ac7de1ffbf19
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[B-:36]([F:37])([F:38])([F:39])[F:40].[C:24](#[N:25])[c:26]1[cH:27][cH:28][c:29]([CH2:32][C:33](=[O:34])[OH:35])[cH:30][cH:31]1.[CH2:41]([O:42][C:43]([C:44](=[N:45][O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[C:54]#[N:55])=[O:56])[CH3:57].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][c:11]([NH2:14])[s:12][cH:13]2)[cH:7][cH:8]1.[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[CH:15]([N:16]([CH2:17][CH3:18])[CH:19]([CH3:20])[CH3:21])([CH3:22])[CH3:23]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][c:11]([NH:14][C:33]([CH2:32][c:29]3[cH:28][cH:27][c:26]([C:24]#[N:25])[cH:31][cH:30]3)=[O:34])[s:12][cH:13]2)[cH:7][cH:8]1