Acetic Acid → HCID 57966227, compound
Reaction equation
[CH3:18][C:19]([CH3:20])=[O:21].[CH3:22][C:23](=[O:24])[OH:25].[CH3:26][OH:27].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([N:9]3[CH2:10][CH2:11][CH:12]([NH2:15])[CH2:13][CH2:14]3)[s:8]2)[cH:16][cH:17]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([N:9]3[CH2:10][CH2:11][CH:12]([NH:15][CH:19]([CH3:18])[CH3:20])[CH2:13][CH2:14]3)[s:8]2)[cH:16][cH:17]1Participants
5
Sources & evidence
- ORD record
- ord-7e111f7b6cee46a7a783654f17eaeea0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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