HRID189083

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6386

tert-Butyl alcohol

C4H10O

HCID7892

2-Methylpentane

C6H14

HCID8028

Tetrahydrofuran

C4H8O

HCID167232

Periodate ion

IO4-

结构：COC(=O)c1ccc(C)c(-n2cnc3ccc(C=CC(=O)OC(C)(C)C)cc3c2=O)c1

HCID68511780

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C)c(-n2cnc3ccc(C=O)cc3c2=O)c1

HCID86630235

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dda5bcad4d134713ae1fb1727c45ae16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[CH:5]=[CH:6][c:9]1[cH:10][c:11]2[c:12](=[O:30])[n:13](-[c:19]3[cH:20][c:21]([C:22](=[O:23])[O:24][CH3:25])[cH:26][cH:27][c:28]3[CH3:29])[cH:14][n:15][c:16]2[cH:17][cH:18]1)([CH3:7])([CH3:8])[CH3:31].[CH2:44]1[CH2:46][CH2:45][CH2:47][O:48]1.[CH3:38][CH2:39][CH2:40][CH:41]([CH3:42])[CH3:43].[CH3:50][C:51]([OH:52])([CH3:53])[CH3:54].[I+3:32]([O-:33])([O-:34])([O-:35])[O-:36].[Na+:37].[OH2:49]>>[c:9]1([CH:47]=[O:48])[cH:10][c:11]2[c:12](=[O:30])[n:13](-[c:19]3[cH:20][c:21]([C:22](=[O:23])[O:24][CH3:25])[cH:26][cH:27][c:28]3[CH3:29])[cH:14][n:15][c:16]2[cH:17][cH:18]1