HRID2346392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID283

Formic acid, ion(1-)

CHO2-

HCID702

Ethanol

C2H6O

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

结构：O=C(Nc1ccc(F)cc1)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccc(F)cc1F

HCID22144644

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc2c(c1)cc(C(=O)Nc1ccc(F)cc1)n2Cc1ccc(F)cc1F

HCID22144666

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7ee45643c4e429fb8b1b46610686846
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][CH2:43][OH:44].[CH:32]([O-:33])=[O:34].[F:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([C:17](=[O:18])[NH:19][c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[cH:7][c:8]3[cH:9][c:10]([N+:14]([O-:15])=[O:16])[cH:11][cH:12][c:13]23)[cH:27][cH:28][c:29]([F:31])[cH:30]1.[NH4+:35].[Pd:45]>>[F:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([C:17](=[O:18])[NH:19][c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[cH:7][c:8]3[cH:9][c:10]([NH2:14])[cH:11][cH:12][c:13]23)[cH:27][cH:28][c:29]([F:31])[cH:30]1