HRID1140273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID28123

Tetrahydroborate

H4B-

HCID78485

N-Methylisopropylamine

C4H11N

结构：CCOC(=O)C1CC(=O)CCC1N1CCC(NC(=O)OCc2ccccc2)C1=O

HCID178469307

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CC(N(C)C(C)C)CCC1N1CCC(NC(=O)OCc2ccccc2)C1=O

HCID21075011

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c343311a32e41d198ae3bb29aef3b4d
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

[BH4-:35].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:29])[N:14]([CH:17]2[CH:18]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH2:19][C:20](=[O:23])[CH2:21][CH2:22]2)[CH2:15][CH2:16]1.[CH2:39]([Cl:40])[Cl:41].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[CH3:48][OH:49].[CH3:50][S:51]([CH3:52])=[O:53].[CH:30]([CH3:31])([CH3:32])[NH:33][CH3:34].[Na+:36].[Na+:38].[OH-:37]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:29])[N:14]([CH:17]2[CH:18]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH2:19][CH:20]([N:33]([CH:30]([CH3:31])[CH3:32])[CH3:34])[CH2:21][CH2:22]2)[CH2:15][CH2:16]1