Acetic Acid → HCID 13173182, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7](-[c:16]2[n:17][c:18]3[n:22]([cH:23]2)[CH2:21][CH2:20][S:19]3)[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11].[CH2:24]1[CH2:25][O:26][CH2:27][CH2:28][NH:29]1.[CH2:30]=[O:31].[CH3:32][C:33](=[O:34])[OH:35].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7](-[c:16]2[n:17][c:18]3[n:22]([c:23]2[CH2:32][N:29]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[CH2:21][CH2:20][S:19]3)[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11]Participants
6
Sources & evidence
- ORD record
- ord-40b30cde8b3f4c6c9b26f607b91210d2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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