HRID1239431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1084

Thiosulfate(2-)

O3S2-2

HCID6342

Acetonitrile

C2H3N

HCID31374

Dimethylacetamide

C4H9NO

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：CSCCOc1ccc(-c2coc3ccc(-c4nnc(C)o4)cc23)cc1

HCID68663350

未命名化合物

PRODUCTS

生成物

结构：Cc1nnc(-c2ccc3occ(-c4ccc(OCCS(C)=O)cc4)c3c2)o1

HCID68664496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f2e6322f3b3454386d0a3399646afcd
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

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