HRID301874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID31216

Borane, tributyl-

C12H27B

HCID76284

Sulfuric acid, monoazanyl ester

H3NO4S

结构：CS(=O)(=O)c1ccc(-c2cscc2-c2ccc(F)cc2)cc1

HCID10426884

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：NS(=O)(=O)c1ccc(-c2cscc2-c2ccc(F)cc2)cc1

HCID12088670

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf7d9af29c434997bb7935bc6e57c390
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

[CH2:23]([Li:24])[CH2:25][CH2:26][CH3:27].[CH2:34]([B:35]([CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH3:46].[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][s:13][cH:14][c:15]2-[c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[cH:9][cH:10]1.[CH3:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33].[CH3:48][C:49](=[O:50])[O-:51].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[NH2:52][O:53][S:54]([OH:55])(=[O:56])=[O:57].[Na+:47].[OH2:69]>>[S:2](=[O:3])(=[O:4])([c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][s:13][cH:14][c:15]2-[c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[cH:9][cH:10]1)[NH2:52]