HRID957576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID302629

2,6-difluoro-3-nitrobenzoic acid

C7H3F2NO4

HCID44223694

3-Methoxy-1H-pyrazolo[3,4-b]pyridin-5-amine

C7H8N4O

PRODUCTS

生成物

结构：COc1n[nH]c2ncc(NC(=O)c3c(F)ccc([N+](=O)[O-])c3F)cc12

HCID67089054

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41db0a87cd4a4559848cdcad8c376fce
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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