Acetic Acid → HCID 53416810, compound
Reaction equation
[C:24]([OH:25])(=[O:26])[CH3:27].[Cl:1][c:2]1[n:3][cH:4][c:5]([N+:21]([O-:22])=[O:23])[c:6]([N:8]([CH:9]([C:10](=[O:11])[O:12][CH3:13])[CH2:14][CH3:15])[CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20]2)[n:7]1>>[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:7]1)[N:8]([CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20]1)[CH:9]([CH2:14][CH3:15])[C:10](=[O:11])[NH:21]2Participants
3
Sources & evidence
- ORD record
- ord-676beb47069d4608abef7e86d5b3ba1f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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