HRID2146446

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID887

Methanol

CH4O

HCID888

Magnesium cation

Mg+2

HCID923

Sodium ion

Na+

HCID1117

Sulfate

O4S-2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID28123

Tetrahydroborate

H4B-

HCID70737

6-Methyl-2-pyridinecarboxaldehyde

C7H7NO

HCID178446385

未命名化合物

PRODUCTS

生成物

结构：CCC(C)C(C(=O)OC(C)(C)C)N1CCN(Cc2cccc(C)n2)C1=O

HCID178445481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0b7a1bb864a4f5ba8fe4945dd2ec5e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[BH4-:32].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH:8]([CH2:9][CH3:10])[CH3:11])[NH:12][CH2:13][CH2:14][NH2:15])=[O:16].[CH3:17][c:18]1[cH:19][cH:20][cH:21][c:22]([CH:24]=[O:25])[n:23]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][OH:42].[Cl:43][CH2:44][Cl:45].[Cl:46][CH2:47][CH2:48][Cl:49].[Mg+2:26].[Na+:33].[O-:27][S:28](=[O:29])(=[O:30])[O-:31]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH:8]([CH2:9][CH3:10])[CH3:11])[N:12]1[CH2:13][CH2:14][N:15]([CH2:24][c:22]2[cH:21][cH:20][cH:19][c:18]([CH3:17])[n:23]2)[C:41]1=[O:42])=[O:16]