Heptane → HCID 74944122, compound
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]2)[cH:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10].[C:42](=[O:43])([O-:44])[O-:45].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[Cs+:46].[Cs+:47].[NH2:19][c:20]1[cH:21][c:22]([O:29][CH:30]([CH3:31])[c:32]2[c:33]([C:38]([F:39])([F:40])[F:41])[cH:34][cH:35][cH:36][cH:37]2)[c:23]([C:25](=[O:26])[O:27][CH3:28])[s:24]1.[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1>>[c:2]1([NH:19][c:20]2[cH:21][c:22]([O:29][CH:30]([CH3:31])[c:32]3[c:33]([C:38]([F:39])([F:40])[F:41])[cH:34][cH:35][cH:36][cH:37]3)[c:23]([C:25](=[O:26])[O:27][CH3:28])[s:24]2)[cH:3][c:4]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]2)[cH:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10]Participants
7
Sources & evidence
- ORD record
- ord-578337bab5c64309b8ef42414edba0df
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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