HRID2333280

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCOC(=O)C(C)(C)Cn1ncc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21

HCID59316785

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ccc(-c2nc(-c3cccc4c3cnn4CC(C)(C)C(=O)O)no2)cc1C#N

HCID25060477

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63e3eebced814c388a41f174b382f83f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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