HRID313482

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

结构：CCOC(=O)CCCn1ccc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21

HCID59318367

未命名化合物

PRODUCTS

生成物

HCID923

Sodium ion

Na+

结构：CC(C)Oc1ccc(-c2nc(-c3cccc4c3ccn4CCCC(=O)[O-])no2)cc1C#N

HCID59318402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-410fea19242b478f8db4972f44883da9
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](#[N:2])[c:3]1[cH:4][c:5](-[c:13]2[n:14][c:15](-[c:18]3[c:19]4[cH:20][cH:21][n:22]([CH2:27][CH2:28][CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[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].[CH3:44][CH2:45][OH:46].[Na+:36].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[OH-:35].[OH2:37]>>[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][cH:21][n:22]([CH2:27][CH2:28][CH2:29][C:30](=[O:31])[O-:32])[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].[Na+:36]