HRID199387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID44119238

未命名化合物

HCID66839390

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C1COc2cc(C(F)(F)F)ccc2O1)c1ccc2[nH]ncc2c1

HCID74947214

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3f0b6fdef594cc0bad6408910cdeb6c
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

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