HCID 15858643, compound → HCID 178435222, compound
Reaction equation
[CH3:26][NH:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH:33]1[CH:34]2[c:35]3[cH:36][cH:37][c:38]([OH:54])[cH:39][c:40]3[CH2:41][CH2:42][C:43]2([CH:52]=[CH2:53])[CH:44]2[CH2:45][CH2:46][CH:47]([OH:51])[C:48]2([CH3:49])[CH2:50]1.[F:1][C:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][O:10][S:11]([c:12]1[cH:13][cH:14][c:15]([CH3:16])[cH:17][cH:18]1)(=[O:19])=[O:20])([C:21]([F:22])([F:23])[F:24])[F:25]>>[F:1][C:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][N:27]([CH3:26])[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH:33]1[CH:34]2[c:35]3[cH:36][cH:37][c:38]([OH:54])[cH:39][c:40]3[CH2:41][CH2:42][C:43]2([CH:52]=[CH2:53])[CH:44]2[CH2:45][CH2:46][CH:47]([OH:51])[C:48]2([CH3:49])[CH2:50]1)([C:21]([F:22])([F:23])[F:24])[F:25]Participants
3
Sources & evidence
- ORD record
- ord-15187ac4cf5e4509ba30d2015e994324
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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