HRID1544251

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID7669

N-Methylbenzylamine

C8H11N

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

结构：CC(C)C1COC(=O)N1C(=O)C(CC(=O)OCc1ccccc1)Cc1ccccc1

HCID14429460

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CC(C)C1COC(=O)N1C(=O)C(CC(=O)N(C)Cc1ccccc1)Cc1ccccc1

HCID18948348

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3613af5f674144c3bf0ce91c90ef0a4f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:42]([P:43](=[O:44])([O:45][CH2:46][CH3:47])[O:48][CH2:49][CH3:50])#[N:51].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]([C:9](=[O:10])[N:11]1[C:12](=[O:19])[O:13][CH2:14][CH:15]1[CH:16]([CH3:17])[CH3:18])[CH2:20][C:21]([O:23][CH2:22][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)=[O:30].[CH2:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[NH:40][CH3:41].[CH3:52][CH2:53][OH:54].[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[H:31][H:32]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]([C:9](=[O:10])[N:11]1[C:12](=[O:19])[O:13][CH2:14][CH:15]1[CH:16]([CH3:17])[CH3:18])[CH2:20][C:21](=[O:23])[N:40]([CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[CH3:41]