2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid → HCID 178471479, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][CH:4]([CH:5]([CH3:6])[NH:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15][cH:16][n:17][c:18]12)[O:19][CH2:20][CH3:21].[cH:22]1[cH:23][cH:24][cH:25][c:26]2[c:34]1[CH:33]([CH2:35][O:36][C:37](=[O:38])[NH:39][CH:40]([C:41](=[O:42])[OH:43])[CH2:44][c:45]1[cH:46][cH:47][c:48]([O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[cH:49][cH:50]1)[c:32]1[c:27]-2[cH:28][cH:29][cH:30][cH:31]1>>[CH2:1]([CH3:2])[O:3][CH:4]([CH:5]([CH3:6])[N:7]([CH2:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15][cH:16][n:17][c:18]12)[C:41]([CH:40]([NH:39][C:37]([O:36][CH2:35][CH:33]1[c:32]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)-[c:26]2[cH:25][cH:24][cH:23][cH:22][c:34]21)=[O:38])[CH2:44][c:45]1[cH:46][cH:47][c:48]([O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[cH:49][cH:50]1)=[O:42])[O:19][CH2:20][CH3:21]Participants
3
Sources & evidence
- ORD record
- ord-8ce5924aca6d466e8e476883ca4e62fd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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