HRID287473

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

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID75361

Silane, (chloromethyl)trimethyl-

C4H11ClSi

HCID76284

Sulfuric acid, monoazanyl ester

H3NO4S

结构：CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CCC2)cc1

HCID443373

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：NS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CCC2)cc1

HCID9836619

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56a29bda47294154aba502406c5b0d82
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

[C:52]([O-:53])(=[O:54])[CH3:55].[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:35][CH2:36][CH2:37][CH2:38][N+:39]([CH2:40][CH2:41][CH2:42][CH3:43])([CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH2:50][CH3:51].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[Cl:28][CH2:29][Si:30]([CH3:31])([CH3:32])[CH3:33].[F-:34].[F:6][c:7]1[cH:8][cH:9][c:10]([C:13]2=[C:14]([c:18]3[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[CH3:27])[cH:22][cH:23]3)[CH2:15][CH2:16][CH2:17]2)[cH:11][cH:12]1.[NH2:57][O:58][S:59]([OH:60])(=[O:61])=[O:62].[Na+:56].[O:70]1[CH2:71][CH2:72][CH2:73][CH2:74]1.[OH2:69]>>[F:6][c:7]1[cH:8][cH:9][c:10]([C:13]2=[C:14]([c:18]3[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[NH2:39])[cH:22][cH:23]3)[CH2:15][CH2:16][CH2:17]2)[cH:11][cH:12]1