Acetic Acid → HCID 13173180, compound
Reaction equation
[Br:28].[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].[CH3:30][C:31](=[O:32])[OH:33].[Na+:24].[OH2:29].[S-:25][C:26]#[N:27]>>[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[S:25][C:26]#[N:27])[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
7
Sources & evidence
- ORD record
- ord-7e5d853347f644cdbead4a741b3a7a2f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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