Acetone → HCID 15462943, compound
Reaction equation
[CH2:18]([CH:19]1[CH2:20][CH2:21][N:22]([C:23]([CH:24]([Cl:25])[Cl:26])=[O:27])[CH2:28][CH2:29]1)[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[CH2:9][CH2:10][N:11]([C:14](=[O:15])[CH2:16][NH2:17])[CH2:12][CH2:13]1.[CH3:57][C:58](=[O:59])[CH3:60].[Cl:40][c:41]1[c:42]([N+:49](=[O:50])[O-:51])[cH:43][c:44]([C:45]#[N:46])[cH:47][cH:48]1.[N-:36]=[N+:37]=[N-:38].[Na+:39].[Na+:56].[O-:52][C:53]([OH:54])=[O:55].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[CH2:9][CH2:10][N:11]([C:14](=[O:15])[CH2:16][NH:17][c:41]2[c:42]([N+:49](=[O:50])[O-:51])[cH:43][c:44]([C:45]#[N:46])[cH:47][cH:48]2)[CH2:12][CH2:13]1Participants
9
Sources & evidence
- ORD record
- ord-f42fdf26f2ee458884d757e78afc412a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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