Acetic Acid → 5,6-Dinitrooxyhexyl 4-acetyloxy-3-(4-methylsulfonylphenyl)-2-phenylbut-2-enoate
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][C:6](=[C:7]([C:8](=[O:9])[OH:10])[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[c:17]1[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:21][cH:22]1.[C:62]([OH:63])(=[O:64])[CH3:65].[CH3:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH2:48][CH2:49][N:50]([CH3:51])[CH3:52].[CH3:53][N:54]([c:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1)[CH3:61].[N+:27](=[O:28])([O-:29])[O:30][CH:31]([CH2:32][CH2:33][CH2:34][CH2:35][OH:36])[CH2:37][O:38][N+:39](=[O:40])[O-:41]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][C:6](=[C:7]([C:8](=[O:9])[O:10][CH2:35][CH2:34][CH2:33][CH2:32][CH:31]([O:30][N+:27](=[O:28])[O-:29])[CH2:37][O:38][N+:39](=[O:40])[O-:41])[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[c:17]1[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:21][cH:22]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-ac93ac8d23a94b7cb5e79221356c6ace
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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