HRID170087

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1

HCID776448

4-[(4-Phenyl-2-quinazolinyl)amino]benzoic acid

C21H15N3O2

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID7016428

3-Amino-4-methylbenzonitrile

C8H8N2

PRODUCTS

生成物

结构：Cc1ccc(C#N)cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1

HCID57662918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ca9aec43d9c41e1872fda8e8cd303fa
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

[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[NH2:27][c:28]1[cH:29][c:30]([C:31]#[N:32])[cH:33][cH:34][c:35]1[CH3:36].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[c:1]1(-[c:7]2[n:8][c:9]([NH:17][c:18]3[cH:19][cH:20][c:21]([C:22](=[O:23])[OH:24])[cH:25][cH:26]3)[n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[n:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[c:1]1(-[c:7]2[n:8][c:9]([NH:17][c:18]3[cH:19][cH:20][c:21]([C:22](=[O:23])[NH:27][c:28]4[cH:29][c:30]([C:31]#[N:32])[cH:33][cH:34][c:35]4[CH3:36])[cH:25][cH:26]3)[n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1