Isopropanol → HCID 86624067, compound
Reaction equation
[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH:57]([OH:58])([CH3:59])[CH3:60].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][O:7][CH2:8][CH:9]([CH2:10][NH:11][C:12]([O:13][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)=[O:14])[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35].[NH2:36][CH:37]1[CH2:38][CH2:39][N:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:41][CH2:42]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][O:7][CH2:8][CH:9]([CH2:10][NH:11][C:12](=[O:13])[NH:36][CH:37]2[CH2:38][CH2:39][N:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:41][CH2:42]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35]Participants
5
Sources & evidence
- ORD record
- ord-8b931d30cf1e4731b0a8195f2b6adf33
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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