HRID293375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID24648

Sulfuryl chloride

Cl2O2S

HCID28179

Fluoride

F-

结构：Nc1ccccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

HCID57942118

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)Nc1ccccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

HCID57942215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d08acbcd1ab40859feb8c1f4360e2c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:40]([N+:41]([CH2:42][CH2:43][CH2:44][CH3:45])([CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH3:56].[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH4:37].[ClH:38].[F-:39].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[n:7][cH:8][c:9]([Cl:27])[cH:10][c:11]2[NH:12][S:13](=[O:14])(=[O:15])[c:16]2[cH:17][c:18]([C:23]([F:24])([F:25])[F:26])[c:19]([Cl:22])[cH:20][cH:21]2)[cH:28][cH:29][cH:30][cH:31]1.[S:32](=[O:33])(=[O:34])([Cl:35])[Cl:36].[cH:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[c:6]2[n:7][cH:8][c:9]([Cl:27])[cH:10][c:11]2[NH:12][S:13](=[O:14])(=[O:15])[c:16]2[cH:17][c:18]([C:23]([F:24])([F:25])[F:26])[c:19]([Cl:22])[cH:20][cH:21]2)[cH:28][cH:29][cH:30][cH:31]1)[S:32](=[O:33])(=[O:34])[CH3:40]