HRID126359

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

3 次

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID18997

N-Chlorophthalimide

C8H4ClNO2

HCID159940

Disulfite

O5S2-2

结构：COc1ccnc(CSc2nc3cc(OC(F)F)ccc3[nH]2)c1OC

HCID178493201

未命名化合物

PRODUCTS

生成物

结构：COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC

HCID178493215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc5e30f2ff5d4767a97f93946a3aabc6
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

[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH3:54][C:55](=[O:56])[OH:57].[CH3:58][C:59]#[N:60].[Cl:28][N:29]1[C:30](=[O:34])[c:31]2[cH:32][cH:33][cH:35][cH:36][c:37]2[C:38]1=[O:39].[F:1][CH:2]([O:3][c:4]1[cH:5][c:6]2[c:7]([nH:8][c:9]([S:11][CH2:12][c:13]3[n:14][cH:15][cH:16][c:17]([O:21][CH3:22])[c:18]3[O:19][CH3:20])[n:10]2)[cH:23][cH:24]1)[F:25].[Na+:27].[Na+:47].[Na+:48].[OH-:26].[S:40]([S:41]([O-:42])=[O:43])([O-:44])(=[O:45])=[O:46]>>[F:1][CH:2]([O:3][c:4]1[cH:5][c:6]2[c:7]([nH:8][c:9]([S:11]([CH2:12][c:13]3[n:14][cH:15][cH:16][c:17]([O:21][CH3:22])[c:18]3[O:19][CH3:20])=[O:34])[n:10]2)[cH:23][cH:24]1)[F:25]