Water → 3,5-Dioxo-4-palmitoylcyclohexanecarbonitrile

반응식

[CH:1](=[O:2])[CH:3]1[CH2:4][C:5](=[O:27])[CH:6]([C:10]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])=[O:26])[C:7](=[O:9])[CH2:8]1.[NH2:28][O:29][S:30]([OH:31])(=[O:32])=[O:33].[OH2:34]>>[C:1]([CH:3]1[CH2:4][C:5](=[O:27])[CH:6]([C:10]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])=[O:26])[C:7](=[O:9])[CH2:8]1)#[N:28]

참가 물질

반응물 3

HCID 962Water

HCID 76284hydroxylamine-O-sulfonic acid

HCID 150035705-Formyl-2-palmitoylcyclohexane-1,3-dione

생성물 1

HCID 197746893,5-Dioxo-4-palmitoylcyclohexanecarbonitrile

출처 및 근거

ORD 기록: ord-6b4855d9858e4ddfa3fb586998f846c3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…