HRID2161139

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID923

Sodium ion

Na+

3 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

4 次

HCID8028

Tetrahydrofuran

C4H8O

HCID76284

Sulfuric acid, monoazanyl ester

H3NO4S

HCID3280088

未命名化合物

结构：CC(C)(O)COc1c(-c2ccc(S(C)(=O)=O)cc2)cnn(-c2ccc(F)c(F)c2)c1=O

HCID10204258

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)COc1c(-c2ccc(S(N)(=O)=O)cc2)cnn(-c2ccc(F)c(F)c2)c1=O

HCID10297692

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2f69f9590b44665bae311297b22009b
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

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