HRID2326302

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID6043

2-Benzoxazolinone

C7H5NO2

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

HCID166653

Hydride

H-

HCID45072487

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CCn1c(=O)oc2ccccc21)NC(=O)OC(C)(C)C

HCID57435843

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2358fed6391a4dcd94a57d4952562322
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:27](=[O:28])([O-:29])[OH:30].[CH2:42]([N+:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH3:58].[CH3:32][N:33]1[CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[C:39]1=[O:40].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[H-:11].[I-:41].[NH2:13][CH2:14][CH2:15][C:16]([CH3:17])([CH3:18])[NH:19][C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26].[Na+:12].[Na+:31].[o:1]1[c:2](=[O:10])[nH:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[o:1]1[c:2](=[O:10])[n:3]([CH2:14][CH2:15][C:16]([CH3:17])([CH3:18])[NH:19][C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2