Acetic Acid → Ac-DL-Tyr-DL-Val-DL-xiHyp(Bn)(Bn)-DL-Asp-al
Reaction equation
[C:1]([O:2][C:3](=[N:4][NH:5][C:6](=[O:7])[NH2:49])[CH2:50][CH:8]([CH:9]=[O:10])[NH:11][C:12]([CH:13]1[N:14]([C:26]([CH:27]([NH:28][C:29]([CH:30]([NH:31][C:32]([CH3:33])=[O:34])[CH2:35][c:36]2[cH:37][cH:38][c:39]([OH:42])[cH:40][cH:41]2)=[O:43])[CH:44]([CH3:45])[CH3:46])=[O:47])[CH2:15][CH:16]([O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[CH2:17]1)=[O:48])([CH3:51])([CH3:52])[CH3:53].[CH2:63]=[O:64].[CH3:61][OH:62].[CH3:68][C:69](=[O:70])[OH:71].[Cl:65][CH2:66][Cl:67].[OH:54][C:55](=[O:56])[C:57]([F:58])([F:59])[F:60]>>[CH:8]([CH:9]=[O:10])([NH:11][C:12]([CH:13]1[N:14]([C:26]([CH:27]([NH:28][C:29]([CH:30]([NH:31][C:32]([CH3:33])=[O:34])[CH2:35][c:36]2[cH:37][cH:38][c:39]([OH:42])[cH:40][cH:41]2)=[O:43])[CH:44]([CH3:45])[CH3:46])=[O:47])[CH2:15][CH:16]([O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[CH2:17]1)=[O:48])[CH2:57][C:55]([OH:54])=[O:56]Participants
7
Sources & evidence
- ORD record
- ord-a2157b19a50f4f25bd4ba338e698bdcb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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