Trifluoroacetic acid → N-[m-(m-cyanobenzamido)benzoyl]-beta-alanine benzyl ester
Reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10][cH:11]1.[CH2:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[O:26][C:27]([CH2:28][CH2:29][NH:30][C:31]([c:32]1[cH:33][c:34]([NH2:38])[cH:35][cH:36][cH:37]1)=[O:39])=[O:40].[F:12][C:13]([F:14])([F:15])[C:16]([OH:17])=[O:18]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:6](=[O:8])[NH:38][c:34]2[cH:33][c:32]([C:31]([NH:30][CH2:29][CH2:28][C:27]([O:26][CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)=[O:40])=[O:39])[cH:37][cH:36][cH:35]2)[cH:9][cH:10][cH:11]1Participants
4
Sources & evidence
- ORD record
- ord-0802a0b038374d9e9fe67348ff47bc2c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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