Carbamic acid, [(1S)-2-(3,5-difluorophenyl)-1-(2R)-oxiranylethyl]-,1,1-dimethylethyl ester → HCID 178458697, compound
Reaction equation
[CH2:19]([CH:20]=[CH2:21])[O:22][CH:23]1[CH2:24][CH:25]([NH2:33])[c:26]2[cH:27][c:28]([Br:32])[cH:29][cH:30][c:31]21.[CH2:1]([O:2][CH:3]1[c:4]2[c:5]([cH:6][c:7]([O:8][CH2:9][CH2:10][CH3:11])[cH:12][cH:13]2)[CH:14]([NH2:15])[CH2:16]1)[CH:17]=[CH2:18].[F:34][c:35]1[cH:36][c:37]([CH2:42][CH:43]([CH:44]2[O:45][CH2:46]2)[NH:47][C:48]([O:49][C:50]([CH3:51])([CH3:52])[CH3:53])=[O:54])[cH:38][c:39]([F:41])[cH:40]1>>[CH2:19]([CH:20]=[CH2:21])[O:22][CH:23]1[CH2:24][CH:25]([NH:33][CH2:46][CH:44]([CH:43]([CH2:42][c:37]2[cH:36][c:35]([F:34])[cH:40][c:39]([F:41])[cH:38]2)[NH:47][C:48]([O:49][C:50]([CH3:51])([CH3:52])[CH3:53])=[O:54])[OH:45])[c:26]2[cH:27][c:28]([Br:32])[cH:29][cH:30][c:31]21Participants
4
Sources & evidence
- ORD record
- ord-6c354af98661489e9d1c82895e2e99db
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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