HRID2140135

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID27099

Copper(2+)

Cu+2

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

2 次

HCID3870744

Methanesulfinate

CH3O2S-

结构：O=C(NCc1ccc(Br)nc1)c1cncc2c1cnn2-c1ccc(F)cc1

HCID45138009

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1

HCID45138010

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2c401005ad942ffaba06ba12e7544cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][NH:9][C:10](=[O:11])[c:12]2[c:13]3[c:14]([cH:15][n:16][cH:17]2)[n:18](-[c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[n:19][cH:20]3)[cH:6][n:7]1.[CH3:28][S:29](=[O:30])[O-:31].[CH3:33][S:34]([CH3:35])=[O:36].[Cl-:37].[Cu+2:47].[F:39][C:40]([F:41])([F:42])[S:43]([O-:44])(=[O:45])=[O:46].[F:48][C:49]([F:50])([F:51])[S:52]([O-:53])(=[O:54])=[O:55].[NH4+:38].[Na+:32]>>[c:2]1([S:29]([CH3:28])(=[O:30])=[O:31])[cH:3][cH:4][c:5]([CH2:8][NH:9][C:10](=[O:11])[c:12]2[c:13]3[c:14]([cH:15][n:16][cH:17]2)[n:18](-[c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[n:19][cH:20]3)[cH:6][n:7]1