Acetic Acid → HCID 16730730, compound
Reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:25][C:26](=[O:27])[OH:28].[Cl:44][CH2:45][Cl:46].[N+:29](=[O:30])([O-:31])[c:32]1[cH:33][cH:34][c:35]([CH:36]=[O:37])[o:38]1.[cH:1]1[cH:2][cH:3][c:4]([O:14][CH2:15][CH:16]([CH2:17][N:18]2[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]2)[OH:24])[c:5]2[c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[nH:12][c:13]12>>[cH:1]1[cH:2][cH:3][c:4]([O:14][CH2:15][CH:16]([CH2:17][N:18]2[CH2:19][CH2:20][N:21]([CH2:36][c:35]3[cH:34][cH:33][c:32]([N+:29](=[O:30])[O-:31])[o:38]3)[CH2:22][CH2:23]2)[OH:24])[c:5]2[c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[nH:12][c:13]12Participants
6
Sources & evidence
- ORD record
- ord-2c5bc73adef44a4387df4a83e732339a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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