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Nitric Acid → Nitrate

HRID 287925
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인쇄 미리보기

반응식

HRID 287925 반응식
[CH3:1][CH2:2][CH:3]1[O:4][C:5](=[O:6])[CH:7]([CH3:8])[CH:9]([O:10][CH:11]2[CH2:12][C:13]([CH3:14])([O:15][CH3:16])[CH:17]([OH:18])[CH:19]([CH3:20])[O:21]2)[CH:22]([CH3:23])[CH:24]([O:25][CH:26]2[O:27][CH:28]([CH3:29])[CH2:30][CH:31]([N:34]([CH3:35])[CH3:36])[CH:32]2[OH:33])[C:37]([CH3:38])([OH:39])[CH2:40][CH:41]([CH3:42])[C:43](=[O:44])[CH:45]([CH3:46])[CH:47]([OH:48])[C:49]1([CH3:50])[OH:51].[CH3:61][C:62]#[N:63].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH:57][N+:58]([O-:59])=[O:60]>>[CH3:1][CH2:2][CH:3]1[O:4][C:5](=[O:6])[CH:7]([CH3:8])[CH:9]([O:10][CH:11]2[CH2:12][C:13]([CH3:14])([O:15][CH3:16])[CH:17]([OH:18])[CH:19]([CH3:20])[O:21]2)[CH:22]([CH3:23])[CH:24]([O:25][CH:26]2[O:27][CH:28]([CH3:29])[CH2:30][CH:31]([N:34]([CH3:35])[CH3:36])[CH:32]2[OH:33])[C:37]([CH3:38])([OH:39])[CH2:40][CH:41]([CH3:42])[C:43](=[O:44])[CH:45]([CH3:46])[CH:47]([OH:48])[C:49]1([CH3:50])[OH:51].[O:57]=[N+:58]([O-:59])[O-:60]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 944Nitric AcidHCID 32556-((4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl)oxy)-14-ethyl-7,12,13-trihydroxy-4-((5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dioneHCID 6342AcetonitrileHCID 8028Tetrahydrofuran

생성물 2

HCID 943Nitrate
HCID 3255
6-((4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl)oxy)-14-ethyl-7,12,13-trihydroxy-4-((5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione

출처 및 근거

ORD 기록
ord-991a416baf7f477aa507b92e46aa8b5e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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