HRID943548

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID137664

2,3-Difluorobenzaldehyde

C7H4F2O

HCID498716

未命名化合物

结构：CC(C)(C)OC(=O)NC1CNCCN(CC(F)(F)F)C1=O

HCID66939478

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CN(Cc2cccc(F)c2F)CCN(CC(F)(F)F)C1=O

HCID68433007

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0bbbf36ea074dc8a9a7346dbc1f2838
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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