HRID1239083

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID712

Formaldehyde

CH2O

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID498716

未命名化合物

结构：CCOC(=O)c1ccc(Nc2cc3c(cc2C)C(C)(C)CCN3C(C)C)cc1

HCID9951833

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(N(C)c2cc3c(cc2C)C(C)(C)CCN3C(C)C)cc1

HCID9865436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-853b5f5c5339413fa32a788dc1efddfc
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

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