Hydrochloric Acid → [2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl 5,6-dinitrooxyhexanoate
Reaction equation
[CH3:1][CH2:2][CH2:3][CH2:4][c:5]1[n:6][c:7]([Cl:8])[c:9]([CH2:10][OH:11])[n:12]1[CH2:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2-[c:26]2[n:27][n:28][n:29][nH:30]2)[cH:18][cH:19]1.[CH3:48][N:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[CH3:56][N:57]([CH3:58])[CH2:59][CH2:60][CH2:61][N:62]=[C:63]=[N:64][CH2:65][CH3:66].[CH3:67][N:68]([CH3:69])[c:70]1[cH:71][cH:72][n:73][cH:74][cH:75]1.[CH3:79][OH:80].[Cl:76][CH2:77][Cl:78].[Cl:81][CH2:82][Cl:83].[ClH:55].[K:31].[N+:32](=[O:33])([O-:34])[O:35][CH:36]([CH2:37][CH2:38][CH2:39][C:40](=[O:41])[OH:42])[CH2:43][O:44][N+:45](=[O:46])[O-:47]>>[CH3:1][CH2:2][CH2:3][CH2:4][c:5]1[n:6][c:7]([Cl:8])[c:9]([CH2:10][O:11][C:40]([CH2:39][CH2:38][CH2:37][CH:36]([O:35][N+:32](=[O:33])[O-:34])[CH2:43][O:44][N+:45](=[O:46])[O-:47])=[O:41])[n:12]1[CH2:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2-[c:26]2[n:27][nH:28][n:29][n:30]2)[cH:18][cH:19]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-2ac6e38f6bff475f8eae1e699e3bdeee
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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