Methanol → 1-(3-methyl-4,5-dinitrooxyhexoxy)carbonyloxyethyl 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:35][c:36]2[cH:37][cH:38][c:39](-[c:42]3[c:43](-[c:48]4[n:49][n:50][n:51][n:52]4[C:53]([c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)([c:60]4[cH:61][cH:62][cH:63][cH:64][cH:65]4)[c:66]4[cH:67][cH:68][cH:69][cH:70][cH:71]4)[cH:44][cH:45][cH:46][cH:47]3)[cH:40][cH:41]2)[c:7]([C:11](=[O:12])[O:13][CH:14]([CH3:15])[O:16][C:17](=[O:18])[O:19][CH2:20][CH2:21][CH:22]([CH:23]([CH:24]([CH3:25])[O:26][N+:27](=[O:28])[O-:29])[O:30][N+:31](=[O:32])[O-:33])[CH3:34])[c:8]([Cl:10])[n:9]1.[CH3:72][OH:73].[Cl:74][CH2:75][Cl:76]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:35][c:36]2[cH:37][cH:38][c:39](-[c:42]3[c:43](-[c:48]4[n:49][n:50][n:51][nH:52]4)[cH:44][cH:45][cH:46][cH:47]3)[cH:40][cH:41]2)[c:7]([C:11](=[O:12])[O:13][CH:14]([CH3:15])[O:16][C:17](=[O:18])[O:19][CH2:20][CH2:21][CH:22]([CH:23]([CH:24]([CH3:25])[O:26][N+:27](=[O:28])[O-:29])[O:30][N+:31](=[O:32])[O-:33])[CH3:34])[c:8]([Cl:10])[n:9]1Participants
4
Sources & evidence
- ORD record
- ord-4e677cfb16e94b5a8eafa31779d44b0a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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