Beta-Alanine → HCID 135674613, compound
Reaction equation
[CH3:19][O-:20].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:35][OH:36].[Cl:1][c:2]1[cH:3][c:4]([CH3:18])[c:5]([OH:17])[c:6]([C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13]([Cl:16])[cH:14][cH:15]2)[cH:7]1.[NH2:22][CH2:23][CH2:24][C:25](=[O:26])[OH:27].[Na+:21]>>[Cl:1][c:2]1[cH:3][c:4]([CH3:18])[c:5]([OH:17])[c:6]([C:8]([c:10]2[cH:11][cH:12][c:13]([Cl:16])[cH:14][cH:15]2)=[N:22][CH2:23][CH2:24][C:25](=[O:26])[OH:27])[cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-0de487d493fe4bb0af76806a3ad6a4d4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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