HRID215121

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15234

Trimethylacetic anhydride

C10H18O3

结构：CC12CCC3=C4CCC(=O)C=C4CCC3C1C(O)CC2=O

HCID178420989

未命名化合物

PRODUCTS

生成物

HCID178420986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d13fdf9d2b0a455aaaf44c355339ddd8
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:23]([O:24][C:25](=[O:26])[C:27]([CH3:28])([CH3:29])[CH3:30])(=[O:31])[C:32]([CH3:33])([CH3:34])[CH3:35].[C:36](=[O:37])([O-:38])[OH:39].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][N:49]([CH3:50])[c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1.[Na+:40].[OH2:22].[OH:1][CH:2]1[CH2:3][C:4](=[O:21])[C:5]2([CH3:6])[CH:7]1[CH:8]1[CH2:9][CH2:10][C:11]3=[CH:12][C:13](=[O:20])[CH2:14][CH2:15][C:16]3=[C:17]1[CH2:18][CH2:19]2>>[CH:2]1=[CH:3][C:4](=[O:21])[C:5]2([CH3:6])[CH:7]1[CH:8]1[CH2:9][CH2:10][C:11]3=[CH:12][C:13](=[O:20])[CH2:14][CH2:15][C:16]3=[C:17]1[CH2:18][CH2:19]2