Acetic Acid → HCID 68541112, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([NH2:8])[CH:9]([CH3:10])[CH3:11])=[O:12].[C:31]([BH3-:32])#[N:33].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:13][C:14](=[O:15])[OH:16].[CH3:40][OH:41].[Na+:34].[Na+:39].[O-:35][C:36]([OH:37])=[O:38].[O:17]=[C:18]1[N:19]([CH2:28][CH:29]=[O:30])[C:20](=[O:27])[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]21>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([NH:8][CH2:29][CH2:28][N:19]1[C:18](=[O:17])[c:26]2[c:21]([cH:22][cH:23][cH:24][cH:25]2)[C:20]1=[O:27])[CH:9]([CH3:10])[CH3:11])=[O:12]Participants
9
Sources & evidence
- ORD record
- ord-46cdfeaeba584ef4b968563424a907f0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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