HRID1215784

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID82130

3-Bromo-4-methylbenzoic acid

C8H7BrO2

HCID6487047

4-[2-(Pyrrolidin-1-yl)ethyl]aniline

C12H18N2

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1Br

HCID68466263

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee95a2b065a24881a3ff6da574603840
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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