Acetone → HCID 178439719, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:44])[c:6]([CH2:41][CH2:42][CH3:43])[c:7]([O:8][CH2:9][CH:10]([CH2:11][O:12][c:13]2[c:14]([C:36]#[N:37])[c:15]([NH:19][C:20](=[O:21])[c:22]3[n:23][n:24][n:25][n:26]3[CH2:27][c:28]3[cH:29][cH:30][c:31]([O:32][CH3:33])[cH:34][cH:35]3)[cH:16][cH:17][cH:18]2)[OH:38])[cH:39][cH:40]1.[CH3:62][O:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[CH3:70][C:71](=[O:72])[CH3:73].[OH:45][CH2:46][CH2:47][N:48]([CH2:49][CH2:50][OH:51])[CH2:52][CH2:53][OH:54].[OH:55][C:56]([C:57]([F:58])([F:59])[F:60])=[O:61]>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:44])[c:6]([CH2:41][CH2:42][CH3:43])[c:7]([O:8][CH2:9][CH:10]([CH2:11][O:12][c:13]2[c:14]([C:36]#[N:37])[c:15]([NH:19][C:20](=[O:21])[c:22]3[n:23][n:24][n:25][nH:26]3)[cH:16][cH:17][cH:18]2)[OH:38])[cH:39][cH:40]1Participants
6
Sources & evidence
- ORD record
- ord-a1868c746d9046648bd2240e5a8a483b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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