Acetic Acid → HCID 15291316, compound
Reaction equation
[CH3:28][C:29](=[O:30])[OH:31].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6]([CH:16]([CH3:17])[CH3:18])[c:7]([N:9]3[CH2:10][CH2:11][N:12]([CH3:15])[CH2:13][CH2:14]3)[n:8]2)[cH:19][cH:20]1.[Na+:27].[OH-:26].[OH2:25].[OH:21][N+:22]([O-:23])=[O:24]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6]([CH:16]([CH3:17])[CH3:18])[c:7]([N:9]3[CH2:10][CH2:11][N:12]([CH3:15])[CH2:13][CH2:14]3)[n:8]2)[cH:19][c:20]1[N+:22](=[O:21])[O-:23]Participants
7
Sources & evidence
- ORD record
- ord-adec954115a0490a9f5f28ceeebcf495
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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