HRID89212

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID31275

1,4-Dioxane

C4H8O2

结构：CCOC(=O)C(=NO)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID6802348

未命名化合物

PRODUCTS

生成物

HCID923

Sodium ion

Na+

结构：O=C([O-])C(=NO)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID178525933

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b761cf2ddc1744af890f23c6eee73e6d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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