HRID88765

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

HCID70509

3-Bromo-4-fluorobenzoic acid

C7H4BrFO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID324007

未命名化合物

PRODUCTS

生成物

HCID66908710

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c6facf235ed4d5a9a32560014f548b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:10][c:11]1[cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18][c:19]1[F:20].[CH3:22][O:23][C:24]([CH:25]([NH2:26])[CH:27]([OH:28])[CH3:29])=[O:30].[CH3:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH2:37][CH2:38][N:39]([CH3:40])[CH3:41].[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[ClH:21].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH:42][n:43]1[c:44]2[c:45]([cH:46][cH:47][cH:48][cH:49]2)[n:50][n:51]1>>[Br:10][c:11]1[cH:12][c:13]([C:14](=[O:16])[NH:26][CH:25]([C:24]([O:23][CH3:22])=[O:30])[CH:27]([OH:28])[CH3:29])[cH:17][cH:18][c:19]1[F:20]