HRID949093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID7386

1-Nitro-3-(trifluoromethyl)benzene

C7H4F3NO2

HCID8857

Ethyl acetate

C4H8O2

HCID24648

Sulfuryl chloride

Cl2O2S

HCID21930278

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1CNC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

HCID21930318

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57bd82856e2d425fae59bea586a99938
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:45][CH2:46][Cl:47].[N+:32](=[O:33])([O-:34])[c:35]1[cH:36][cH:37][cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1.[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][c:8]2[c:9]([O:14][CH3:15])[cH:10][cH:11][cH:12][cH:13]2)[cH:16][c:17]([Br:20])[cH:18][cH:19]1.[S:27](=[O:28])(=[O:29])([Cl:30])[Cl:31].[cH:21]1[cH:22][cH:23][n:24][cH:25][cH:26]1>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][c:8]2[c:9]([O:14][CH3:15])[cH:10][cH:11][cH:12][cH:13]2)[cH:16][c:17]([Br:20])[cH:18][cH:19]1)[S:27](=[O:28])(=[O:29])[c:36]1[c:35]([N+:32](=[O:33])[O-:34])[cH:40][c:39]([C:41]([F:42])([F:43])[F:44])[cH:38][cH:37]1