HRID200364

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

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID7018384

Imidazo[1,2-a]pyridine-2-carboxylate

C8H5N2O2-

HCID53409530

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccccc1OC1CN(C(=O)c2cn3ccccc3n2)C1

HCID59577285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d40bf666a593425487cf4a580d89dad6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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