HRID2144728

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11569

3-Methoxybenzaldehyde

C8H8O2

HCID498716

未命名化合物

结构：CC(C)COc1ccccc1-c1cc(-c2ccc3[nH]nc(N)c3c2)nc(=O)[nH]1

HCID25121372

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(CNc2n[nH]c3ccc(-c4cc(-c5ccccc5OCC(C)C)[nH]c(=O)n4)cc23)c1

HCID25117486

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-086d4a80ccec4bca80d43e287e4d3a2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:44]([BH3-:45])#[N:46].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH3:48][C:49](=[O:50])[OH:51].[CH:29]([c:30]1[cH:31][c:32]([O:36][CH3:37])[cH:33][cH:34][cH:35]1)=[O:38].[NH2:1][c:2]1[n:3][nH:4][c:5]2[cH:6][cH:7][c:8](-[c:11]3[n:12][c:13](=[O:28])[nH:14][c:15](-[c:17]4[c:18]([O:23][CH2:24][CH:25]([CH3:26])[CH3:27])[cH:19][cH:20][cH:21][cH:22]4)[cH:16]3)[cH:9][c:10]12.[Na+:47]>>[NH:1]([c:2]1[n:3][nH:4][c:5]2[cH:6][cH:7][c:8](-[c:11]3[n:12][c:13](=[O:28])[nH:14][c:15](-[c:17]4[c:18]([O:23][CH2:24][CH:25]([CH3:26])[CH3:27])[cH:19][cH:20][cH:21][cH:22]4)[cH:16]3)[cH:9][c:10]12)[CH2:29][c:30]1[cH:31][c:32]([O:36][CH3:37])[cH:33][cH:34][cH:35]1