HRID2341128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID3776

Isopropanol

C3H8O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID7915

Isopropyl acetate

C5H10O2

HCID8028

Tetrahydrofuran

C4H8O

HCID8071

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：NS(=O)(=O)c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1

HCID25058452

4-Fluoro-3-(trifluoromethanesulfonyl)benzene-1-sulfonamide

C7H5F4NO4S2

HCID74423210

未命名化合物

PRODUCTS

生成物

结构：NS(=O)(=O)c1ccc(NC(CCN2CCOCC2)CSc2ccccc2)c(S(=O)(=O)C(F)(F)F)c1

HCID66723667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf9dd3111116422db25a7e341786bd4d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:3]([O:4][CH:5]([CH3:6])[CH3:7])(=[O:8])[CH3:9].[CH2:63]([CH2:64][O:65][CH3:66])[O:67][CH3:68].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[CH3:84][C:85]#[N:86].[CH:69]([OH:70])([CH3:71])[CH3:72].[Cl:60][CH2:61][Cl:62].[F:28][c:29]1[c:30]([S:39](=[O:40])(=[O:41])[C:42]([F:43])([F:44])[F:45])[cH:31][c:32]([S:35](=[O:36])(=[O:37])[NH2:38])[cH:33][cH:34]1.[NH4+:1].[O:10]1[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][CH:18]([CH2:19][S:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[NH2:27])[CH2:14][CH2:15]1.[O:79]1[CH2:80][CH2:81][CH2:82][CH2:83]1.[OH-:2]>>[O:10]1[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][CH:18]([CH2:19][S:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[NH:27][c:29]2[c:30]([S:39](=[O:40])(=[O:41])[C:42]([F:43])([F:44])[F:45])[cH:31][c:32]([S:35](=[O:36])(=[O:37])[NH2:38])[cH:33][cH:34]2)[CH2:14][CH2:15]1