3-(3,4-Diethyl-phenyl)-2-{[4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carbonyl]-amino}-propionic acid → HCID 178472600, compound
Reaction equation
[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([CH2:11][CH:12]([C:13](=[O:14])[OH:15])[NH:16][C:17](=[O:18])[N:19]2[CH2:20][CH2:21][CH:22]([N:25]3[C:26](=[O:36])[NH:27][c:28]4[c:29]([cH:32][cH:33][cH:34][cH:35]4)[CH2:30][CH2:31]3)[CH2:23][CH2:24]2)[cH:6][cH:7][c:8]1[CH2:9][CH3:10].[N:37]1([CH2:49][C:50](=[O:51])[O:52][CH2:53][CH3:54])[CH2:38][CH2:39][CH:40]([CH:43]2[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]2)[CH2:41][CH2:42]1>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([CH2:11][CH:12]([C:13](=[O:14])[N:46]2[CH2:45][CH2:44][CH:43]([CH:40]3[CH2:39][CH2:38][N:37]([CH2:49][C:50](=[O:51])[O:52][CH2:53][CH3:54])[CH2:42][CH2:41]3)[CH2:48][CH2:47]2)[NH:16][C:17](=[O:18])[N:19]2[CH2:20][CH2:21][CH:22]([N:25]3[C:26](=[O:36])[NH:27][c:28]4[c:29]([cH:32][cH:33][cH:34][cH:35]4)[CH2:30][CH2:31]3)[CH2:23][CH2:24]2)[cH:6][cH:7][c:8]1[CH2:9][CH3:10]Participants
3
Sources & evidence
- ORD record
- ord-1a712927c65e45c89a2f04bc5695a7d5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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