Acetone → HCID 66997068, compound
Reaction equation
[CH3:76][C:77](=[O:78])[CH3:79].[F:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][n:11]([C:19](=[O:20])[NH:21][CH:22]([C:23](=[O:24])[NH:25][CH3:26])[C:27]([CH3:28])([CH3:29])[CH3:30])[c:12]3[c:17]2[CH2:16][CH:15]([OH:18])[CH2:14][CH2:13]3)[cH:5][cH:6][c:7]1[F:8].[F:31][c:32]1[cH:33][c:34](-[c:35]2[c:36]3[c:45]([n:46]([C:47]([NH:48][CH:49]([C:50]([CH3:51])([CH3:52])[CH3:53])[C:54]([NH:55][CH3:56])=[O:57])=[O:58])[n:59]2)[CH2:44][CH2:43][C:38]2([CH2:37]3)[O:39][CH2:40][CH2:41][O:42]2)[cH:60][cH:61][c:62]1[F:63].[OH2:75].[c:64]1([CH3:65])[cH:66][cH:67][c:68]([S:69]([OH:70])(=[O:71])=[O:72])[cH:73][cH:74]1>>[F:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][n:11]([C:19](=[O:20])[NH:21][CH:22]([C:23](=[O:24])[NH:25][CH3:26])[C:27]([CH3:28])([CH3:29])[CH3:30])[c:12]3[c:17]2[CH2:16][C:15](=[O:18])[CH2:14][CH2:13]3)[cH:5][cH:6][c:7]1[F:8]Participants
6
Sources & evidence
- ORD record
- ord-2ac14de0cf4743909de94b2200766e1e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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