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Potassium Cation → Benzyl 4-(2,3-dinitrooxypropoxycarbonyloxy)-3-(4-methylsulfonylphenyl)-2-phenylbut-2-enoate

HRID 179894
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HRID 179894 반응식
[Br:38][CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[C:46](=[O:47])([O-:48])[O-:49].[K+:50].[K+:51].[N+:1](=[O:2])([O-:3])[O:4][CH:5]([CH2:6][O:7][C:8](=[O:9])[O:10][CH2:11][C:12](=[C:13]([C:14](=[O:15])[OH:16])[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[c:23]1[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[CH3:32])[cH:27][cH:28]1)[CH2:33][O:34][N+:35](=[O:36])[O-:37].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[N+:1](=[O:2])([O-:3])[O:4][CH:5]([CH2:6][O:7][C:8](=[O:9])[O:10][CH2:11][C:12](=[C:13]([C:14](=[O:15])[O:16][CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[c:23]1[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[CH3:32])[cH:27][cH:28]1)[CH2:33][O:34][N+:35](=[O:36])[O-:37]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 7498Benzyl BromideHCID 19660Carbonate IonHCID 76653544{([2,3-Bis(nitrooxy)propoxy]carbonyl}oxy)-3-[4-(methylsulfonyl)phenyl]-2-phenylbut-2-enoic acid

생성물 1

HCID 72973114
Benzyl 4-(2,3-dinitrooxypropoxycarbonyloxy)-3-(4-methylsulfonylphenyl)-2-phenylbut-2-enoate

출처 및 근거

ORD 기록
ord-881615db51fe4bc381ba1b9dbd95daaa
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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