HRID134701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

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

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

3 次

HCID4534583

未命名化合物

PRODUCTS

生成物

HCID13246

Cyclododecanone

C12H22O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4be12dc970b4a938ded4f991a689e0b
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

[C:13]([CH3:16])([O:17][N:14]=[O:15])([CH3:18])[CH3:19].[C:34]1(=[N:35][OH:36])[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]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.[CH3:88][C:89](=[O:90])[OH:91].[N+:48]([CH:49]1[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1)([O-:61])=[O:62].[Na+:33].[OH-:32].[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].[S:63]([O-:64])([C:65]([F:66])([F:67])[F:68])(=[O:69])=[O:70].[S:72]([O-:73])([C:74]([F:75])([F:76])[F:77])(=[O:78])=[O:79].[S:80]([O-:81])([C:82]([F:83])([F:84])[F:85])(=[O:86])=[O:87].[Sc+3:71]>>[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