HRID698211

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID8058

n-Hexane

C6H14

HCID12232

Methyl disulfide

C2H6S2

HCID5460515

未命名化合物

HCID12052796

5-Bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one

C10H10BrNO

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

HCID22595746

5-(Methanesulfonyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-one

C11H13NO3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86475d238791492d84b20ead69ab6d83
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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