HRID1214486

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID13592063

未命名化合物

结构：COC(=O)c1ccc(C)c(-n2ccnc(NC(C)(C)c3ccccc3O)c2=O)c1

HCID66690148

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C)c(-n2ccnc(NC(C)(C)c3ccccc3OCCN(C)C(=O)OCc3ccccc3)c2=O)c1

HCID66690144

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e0e1f48ee004310a5b3fc51152d67cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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