HRID309663

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

结构：CC(=O)OCCN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21

HCID14800309

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1N=C(c2ccccc2)c2ccccc2N(CCO)C1=O)c1cc2ccccc2[nH]1

HCID14800306

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73fb99dabf09417fa2303416c3538729
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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