HRID694519

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID240

Benzaldehyde

C7H6O

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID2724942

未命名化合物

结构：CC(C)(C)OC(=O)C1CN(C(=O)OC(C)(C)C)CC1N

HCID68817248

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)CC1C(=O)OC(C)(C)C

HCID178482713

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b20771802bf545ee9c9884d0bc884d59
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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