HRID696005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID9268

Cyclododecane

C12H24

HCID10665

1H-Isoindole-1,3(2H)-dione, 2-hydroxy-

C8H5NO3

HCID10906

tert-Butyl nitrite

C4H9NO2

HCID136762

Cyclododecanone, oxime

C12H23NO

HCID292842

nitrocyclododecane

C12H23NO2

PRODUCTS

生成物

HCID13246

Cyclododecanone

C12H22O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c8948a91cd04285ae7e5ddf957b244e
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

[C:13]([CH3:16])([O:17][N:14]=[O:15])([CH3:18])[CH3:19].[C:32]1(=[N:33][OH:34])[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1.[CH2:1]1[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1.[CH3:61][C:62](=[O:63])[OH:64].[N+:46]([CH:47]1[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]1)([O-:59])=[O:60].[OH:20][N:21]1[C:22](=[O:23])[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[C:30]1=[O:31]>>[C:1]1(=[O:17])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1