HRID197307

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

HCID76284

Sulfuric acid, monoazanyl ester

H3NO4S

结构：CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2)cc1

HCID9929140

未命名化合物

结构：C[Si](C)(C)CCS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2)cc1

HCID10527674

未命名化合物

PRODUCTS

生成物

结构：NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2)cc1

HCID9799387

未命名化合物

HCID10527674

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a68221450e0744ff9edffc51168678fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:67]1[O:68][CH2:69][CH2:70][CH2:71]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[n:11]2[c:12](-[c:20]3[cH:21][n:22][cH:23][cH:24][cH:25]3)[n:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)[cH:9][cH:10]1.[CH3:26][Si:27]([CH2:28][CH2:29][S:30](=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][c:36](-[n:39]2[c:40](-[c:48]3[cH:49][n:50][cH:51][cH:52][cH:53]3)[n:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]2)[cH:37][cH:38]1)([CH3:54])[CH3:55].[CH3:57][C:58](=[O:59])[O-:60].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[NH2:61][O:62][S:63]([OH:64])(=[O:65])=[O:66].[Na+:56].[OH2:72]>>[CH3:26][Si:27]([CH2:28][CH2:29][S:30](=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][c:36](-[n:39]2[c:40](-[c:48]3[cH:49][n:50][cH:51][cH:52][cH:53]3)[n:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]2)[cH:37][cH:38]1)([CH3:54])[CH3:55].[S:2](=[O:3])(=[O:4])([c:5]1[cH:6][cH:7][c:8](-[n:11]2[c:12](-[c:20]3[cH:21][n:22][cH:23][cH:24][cH:25]3)[n:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)[cH:9][cH:10]1)[NH2:61]