Isopropanol → HCID 178460081, compound
Reaction equation
[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH:49]([OH:50])([CH3:51])[CH3:52].[Cl:27][c:28]1[n:29][cH:30][n:31][c:32]2[cH:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][c:37]12.[NH2:1][CH:2]1[C:3](=[O:26])[N:4]([CH:7]2[CH:8]([NH:21][C:22]([CH2:23][CH3:24])=[O:25])[CH2:9][CH:10]([NH:13][C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH2:11][CH2:12]2)[CH2:5][CH2:6]1>>[NH:1]([CH:2]1[C:3](=[O:26])[N:4]([CH:7]2[CH:8]([NH:21][C:22]([CH2:23][CH3:24])=[O:25])[CH2:9][CH:10]([NH:13][C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH2:11][CH2:12]2)[CH2:5][CH2:6]1)[c:28]1[n:29][cH:30][n:31][c:32]2[cH:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][c:37]12Participants
5
Sources & evidence
- ORD record
- ord-b6f770cb8ee94dc098b600fbefc69b87
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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