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 178436293, 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].[CH:37]([CH3:38])([CH3:39])[N:40]1[CH2:41][CH2:42][N:43]([CH:46]2[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]2)[CH2:44][CH2:45]1>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([CH2:11][CH:12]([C:13](=[O:14])[N:49]2[CH2:48][CH2:47][CH:46]([N:43]3[CH2:42][CH2:41][N:40]([CH:37]([CH3:38])[CH3:39])[CH2:45][CH2:44]3)[CH2:51][CH2:50]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-3b0cb0803f5c47bf884ce6126fec1210
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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