HRID1543389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID1031

1-Propanol

C3H8O

HCID59636720

1-(6-Ethenylpyridin-3-yl)ethan-1-one

C9H9NO

HCID59636743

N,N-dimethyl-7-(piperazin-1-yl)benzofuran-2-carboxamide

C15H19N3O2

PRODUCTS

生成物

结构：CC(=O)c1ccc(CCN2CCN(c3cccc4cc(C(=O)N(C)C)oc34)CC2)nc1

HCID59636753

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65063b42c9ad4d239871be9169587221
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:36]([OH:37])[CH2:38][CH3:39].[CH3:1][N:2]([C:3](=[O:4])[c:5]1[o:6][c:7]2[c:8]([cH:9]1)[cH:10][cH:11][cH:12][c:13]2[N:14]1[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]1)[CH3:20].[CH3:32][C:33](=[O:34])[OH:35].[CH:21](=[CH2:22])[c:23]1[cH:24][cH:25][c:26]([C:29]([CH3:30])=[O:31])[cH:27][n:28]1.[OH2:40]>>[CH3:1][N:2]([C:3](=[O:4])[c:5]1[o:6][c:7]2[c:8]([cH:9]1)[cH:10][cH:11][cH:12][c:13]2[N:14]1[CH2:15][CH2:16][N:17]([CH2:22][CH2:21][c:23]2[cH:24][cH:25][c:26]([C:29]([CH3:30])=[O:31])[cH:27][n:28]2)[CH2:18][CH2:19]1)[CH3:20]