Ibuprofen, (+-)- → HCID 53879407, compound
Reaction equation
[CH3:6][CH:7]([C:8](=[O:9])[OH:10])[c:11]1[cH:12][cH:13][c:14]([CH2:17][CH:18]([CH3:19])[CH3:20])[cH:15][cH:16]1.[NH2:21][c:22]1[c:23]([Br:50])[cH:24][c:25]([C:26](=[O:27])[O:28][CH2:29][CH2:30][N:31]([CH2:32][CH2:33][OH:34])[CH:35]([CH3:36])[CH3:37])[cH:38][c:39]1[CH2:40][N:41]([CH2:42][CH3:43])[CH:44]1[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[n-:1]1[cH:2][cH:3][n:4][cH:5]1>>[CH3:6][CH:7]([C:8]([O:9][CH2:33][CH2:32][N:31]([CH2:30][CH2:29][O:28][C:26]([c:25]1[cH:24][c:23]([Br:50])[c:22]([NH2:21])[c:39]([CH2:40][N:41]([CH2:42][CH3:43])[CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[cH:38]1)=[O:27])[CH:35]([CH3:36])[CH3:37])=[O:10])[c:11]1[cH:12][cH:13][c:14]([CH2:17][CH:18]([CH3:19])[CH3:20])[cH:15][cH:16]1Participants
5
Sources & evidence
- ORD record
- ord-7e33aec217cf4db9afbbb787edc8493d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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