Acetic Acid → HCID 173362164, compound
Reaction equation
[CH3:1][S-:2].[CH3:49][OH:50].[CH3:4][C:5](=[O:6])[OH:7].[CH3:8][CH2:9][N:10]([CH2:11][CH3:12])[CH2:13][CH3:14].[Na+:3].[O:15]1[CH:16]2[C:17](=[O:48])[CH:18]([CH:37]([CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][C:43](=[O:44])[O:45][CH3:46])[OH:47])[CH:19]([CH:21]=[CH:22][CH:23]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][O:29][SiH:30]([CH3:31])[CH3:32])[C:33]([CH3:34])([CH3:35])[CH3:36])[CH:20]12.[OH2:51]>>[CH3:1][S:2][C:16]1=[CH:20][CH:19]([CH:21]=[CH:22][CH:23]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][O:29][SiH:30]([CH3:31])[CH3:32])[C:33]([CH3:34])([CH3:35])[CH3:36])[CH:18]([CH:37]([CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][C:43](=[O:44])[O:45][CH3:46])[OH:47])[C:17]1=[O:48]Participants
8
Sources & evidence
- ORD record
- ord-8ca7fe987cbe4bc291bd5f39d79d79d0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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