HRID134083

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID78966

9-Borabicyclo[3.3.1]nonane

C8H15B

结构：C=CCC1(C(=O)OC(C)(C)C)CC(=O)N(C(C)c2ccccc2)C1

HCID178439794

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccccc1)N1CC(CCCO)(C(=O)OC(C)(C)C)CC1=O

HCID178436008

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c54935a89d24c518887029599813500
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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