HRID2322167

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6367

Acetyl chloride

C2H3ClO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)CN(C(=O)OCc1ccccc1)C1CC(CO)CN(C(=O)OC(C)(C)C)C1

HCID59625498

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1CC(N(CC(C)C)C(=O)OCc2ccccc2)CN(C(=O)OC(C)(C)C)C1

HCID59625453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9439f927f00d4802a28948da200daa39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:48](=[O:49])([O-:50])[OH:51].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]([CH:12]1[CH2:13][N:14]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:15][CH:16]([CH2:18][OH:19])[CH2:17]1)[CH2:27][CH:28]([CH3:29])[CH3:30].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:38][C:39]([Cl:40])=[O:41].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Na+:52]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]([CH:12]1[CH2:13][N:14]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:15][CH:16]([CH2:18][O:19][C:39]([CH3:38])=[O:41])[CH2:17]1)[CH2:27][CH:28]([CH3:29])[CH3:30]