HRID162027

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID946

Nitrite ion

NO2-

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9709

2,4-Difluoroaniline

C6H5F2N

HCID23978

Copper

结构：COc1ccc(-c2nc(S)[nH]c2-c2ccc(OC)cc2)cc1

HCID178489021

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2nc(Sc3ccc(F)cc3F)[nH]c2-c2ccc(OC)cc2)cc1

HCID12832309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65c21d44978841a5a2f98836c1e5e2ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:15][O:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[n:24][c:25]([SH:36])[nH:26][c:27]2-[c:28]2[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]2)[cH:21][cH:22]1.[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[ClH:14].[Cu:44].[F:1][c:2]1[c:3]([NH2:4])[cH:5][cH:6][c:7]([F:9])[cH:8]1.[N:10]([O-:11])=[O:12].[Na+:13].[Na+:38].[OH-:37]>>[F:1][c:2]1[c:3]([S:36][c:25]2[nH:24][c:23](-[c:20]3[cH:19][cH:18][c:17]([O:16][CH3:15])[cH:22][cH:21]3)[c:27](-[c:28]3[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]3)[n:26]2)[cH:5][cH:6][c:7]([F:9])[cH:8]1