HRID1137994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID11265571

未命名化合物

反应SMILES：[C-]#[N+]C(CCCC)S(=O)(=O)c1ccc(C)cc1

HCID45789946

1-(1-Isocyanopentane-1-sulfonyl)-4-methylbenzene

C13H17NO2S

PRODUCTS

产物

反应SMILES：[C-]#[N+]C(CCCC)(CCCCCC(C)(C)C(=O)OCC)S(=O)(=O)c1ccc(C)cc1

HCID86596619

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f4a1c0a6d7a046228e0d338f3d113f10
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[Br:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][C:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])([CH3:15])[CH3:16].[CH2:45]([N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH3:61].[CH3:35][S:36]([CH3:37])=[O:38].[CH3:39][CH2:40][O:41][CH2:42][CH3:43].[H-:1].[I-:44].[N+:17](#[C-:18])[CH:19]([CH2:20][CH2:21][CH2:22][CH3:23])[S:24](=[O:25])(=[O:26])[c:27]1[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]1.[Na+:2].[OH2:34]>>[CH2:4]([CH2:5][CH2:6][CH2:7][CH2:8][C:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])([CH3:15])[CH3:16])[C:19]([N+:17]#[C-:18])([CH2:20][CH2:21][CH2:22][CH3:23])[S:24](=[O:25])(=[O:26])[c:27]1[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]1