Acetic Acid → HCID 178477079, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]1[N:8]([C:12]([CH:13]([CH2:14][S:15][C:16]([CH3:17])=[O:18])[CH2:19][C:20]#[N:21])=[O:22])[CH2:9][CH2:10][CH2:11]1)=[O:23].[C:35]([OH:36])(=[O:37])[CH3:38].[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1.[cH:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[cH:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[O:5]=[C:6]([CH:7]1[N:8]([C:12]([CH:13]([CH2:14][S:15][C:16]([CH3:17])=[O:18])[CH2:19][C:20]#[N:21])=[O:22])[CH2:9][CH2:10][CH2:11]1)[OH:23]Participants
5
Sources & evidence
- ORD record
- ord-1d1f0af73fbe4921b024b59aac1b4858
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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