HRID166617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID10774509

SBB044946

C12H13NO2

HCID51342049

1-(Bromomethyl)-4-(methanesulfonyl)-2-(trifluoromethyl)benzene

C9H8BrF3O2S

PRODUCTS

生成物

结构：COC(=O)Cc1c(C)n(Cc2ccc(S(C)(=O)=O)cc2C(F)(F)F)c2ccccc12

HCID66936534

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e9f73ea8f93425faf9dfa099a6ed5cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:20][CH2:21][c:22]1[c:23]([C:32]([F:33])([F:34])[F:35])[cH:24][c:25]([S:28](=[O:29])(=[O:30])[CH3:31])[cH:26][cH:27]1.[CH3:1][O:2][C:3]([CH2:4][c:5]1[c:6]([CH3:14])[nH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12)=[O:15].[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[H-:17].[I-:18].[Na+:16].[Na+:19].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[OH2:47]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[c:6]([CH3:14])[n:7]([CH2:21][c:22]2[c:23]([C:32]([F:33])([F:34])[F:35])[cH:24][c:25]([S:28](=[O:29])(=[O:30])[CH3:31])[cH:26][cH:27]2)[c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12)=[O:15]