HRID1138675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID2724942

未命名化合物

HCID4914628

1-methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde

C11H9NO2

结构：CC(C)(C)OC(=O)N1CCC(C(CN)c2ccccc2)CC1

HCID58415947

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)c(CNCC(c2ccccc2)C2CCN(C(=O)OC(C)(C)C)CC2)cc2ccccc21

HCID58415941

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5964ec82128542569c00e10892ee51f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[CH3:1][n:2]1[c:3](=[O:14])[c:4]([CH:12]=[O:13])[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[CH3:37][C:38](=[O:39])[OH:40].[Cl:55][CH2:56][Cl:57].[NH2:15][CH2:16][CH:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH:24]1[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]1.[Na+:54]>>[CH3:1][n:2]1[c:3](=[O:14])[c:4]([CH2:12][NH:15][CH2:16][CH:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH:24]2[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]2)[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12