HRID284591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID6342

Acetonitrile

C2H3N

HCID6561

2-Methylpropanal

C4H8O

HCID498716

未命名化合物

结构：CCOC(=O)c1ccccc1Nc1cc2c(cc1C)N(C(C)C)CCC2(C)C

HCID86755923

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccccc1N(CC(C)C)c1cc2c(cc1C)N(C(C)C)CCC2(C)C

HCID53918247

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4fee186bf874cf081891e86369aab93
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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