HRID314934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID11665843

Ethyl (5-fluoro-2-methyl-1H-indol-3-yl)acetate

C13H14FNO2

HCID51342049

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

C9H8BrF3O2S

PRODUCTS

生成物

结构：CCOC(=O)Cc1c(C)n(Cc2ccc(S(C)(=O)=O)cc2C(F)(F)F)c2ccc(F)cc12

HCID66936503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46b3ea85b96845fe8424dd93752e5c82
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

[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.[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[c:7]([CH3:16])[nH:8][c:9]2[cH:10][cH:11][c:12]([F:15])[cH:13][c:14]12)=[O:17].[CH3:38][S:39]([CH3:40])=[O:41].[H-:18].[I-:37].[Na+:19].[Na+:36].[OH2:42]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[c:7]([CH3:16])[n:8]([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:9]2[cH:10][cH:11][c:12]([F:15])[cH:13][c:14]12)=[O:17]