HRID827556

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

3 次

HCID19660

Carbonate

CO3-2

HCID498716

未命名化合物

HCID2776511

4-methyl-2-phenylpyrimidine-5-carbaldehyde

C12H10N2O

HCID68707091

未命名化合物

PRODUCTS

生成物

结构：CCCOC(=O)Nc1c(C)cc(NCc2cnc(-c3ccccc3)nc2C)cc1C

HCID11647099

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2e5cf7f6d724cfc8fcbc6fefb3dfa06
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:32]([BH3-:33])#[N:34].[CH2:1]([CH2:2][CH3:3])[O:4][C:5]([NH:6][c:7]1[c:8]([CH3:15])[cH:9][c:10]([NH2:14])[cH:11][c:12]1[CH3:13])=[O:16].[CH3:17][c:18]1[n:19][c:20](-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[n:21][cH:22][c:23]1[CH:24]=[O:25].[CH3:42][OH:43].[CH3:44][C:45](=[O:46])[OH:47].[Na+:35].[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41]>>[CH2:1]([CH2:2][CH3:3])[O:4][C:5]([NH:6][c:7]1[c:8]([CH3:15])[cH:9][c:10]([NH:14][CH2:24][c:23]2[c:18]([CH3:17])[n:19][c:20](-[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[n:21][cH:22]2)[cH:11][c:12]1[CH3:13])=[O:16]