HRID98139

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID498716

未命名化合物

HCID562087

Ethyl 2-oxo-4-phenylbutyrate

C12H14O3

结构：CC(C)(C)OC(=O)C(N)CCCCNC(=O)OCc1ccccc1

HCID2831134

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(CCc1ccccc1)NC(CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

HCID178471227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d0bd3c0a051419191db535fde05990b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:48]([BH3-:49])#[N:50].[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][C:10](=[O:11])[NH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH:17]([NH2:18])[C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:52][CH2:53][OH:54].[ClH:1].[Na+:51].[O:33]=[C:34]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[CH2:40][CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][C:10](=[O:11])[NH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH:17]([NH:18][CH:34]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[CH2:40][CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25]