Isopropanol → HCID 67029834, compound
Reaction equation
[CH2:1]([CH3:2])[NH:3][C:4]([NH:5][c:6]1[cH:7][c:8](-[c:34]2[s:35][cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[n:38]2)[c:9](-[c:12]2[cH:13][c:14]3[c:15](=[O:33])[c:16]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:17][n:18]([CH:22]4[CH2:23][NH:24][CH2:25][CH2:26][CH2:27]4)[c:19]3[cH:20][cH:21]2)[cH:10][n:11]1)=[O:43].[CH:44](=[CH2:45])[S:46](=[O:47])(=[O:48])[CH3:49].[CH:50]([OH:51])([CH3:52])[CH3:53]>>[CH2:1]([CH3:2])[NH:3][C:4]([NH:5][c:6]1[cH:7][c:8](-[c:34]2[s:35][cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[n:38]2)[c:9](-[c:12]2[cH:13][c:14]3[c:15](=[O:33])[c:16]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:17][n:18]([CH:22]4[CH2:23][N:24]([CH2:45][CH2:44][S:46](=[O:47])(=[O:48])[CH3:49])[CH2:25][CH2:26][CH2:27]4)[c:19]3[cH:20][cH:21]2)[cH:10][n:11]1)=[O:43]Participants
4
Sources & evidence
- ORD record
- ord-b09b43c005cd45529ff47276ad2513aa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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