Acetic Acid → HCID 178474678, compound
Reaction equation
[CH3:33][C:34](=[O:35])[O:36][C:37](=[O:38])[CH3:39].[CH3:43][C:44](=[O:45])[OH:46].[CH3:47][OH:48].[Cl-:41].[Cl:42].[NH2:1][CH2:2][CH2:3][CH:4]1[N:5]([C:9](=[O:10])[c:11]2[c:12]([Cl:32])[cH:13][c:14]([C:15](=[O:16])[NH:17][CH:18]([CH3:19])[c:20]3[n:21][c:22]4[c:23]([nH:24]3)[cH:25][cH:26][c:27]([Cl:29])[cH:28]4)[cH:30][cH:31]2)[CH2:6][CH2:7][CH2:8]1.[Na+:40]>>[NH:1]([CH2:2][CH2:3][CH:4]1[N:5]([C:9](=[O:10])[c:11]2[c:12]([Cl:32])[cH:13][c:14]([C:15](=[O:16])[NH:17][CH:18]([CH3:19])[c:20]3[n:21][c:22]4[c:23]([nH:24]3)[cH:25][cH:26][c:27]([Cl:29])[cH:28]4)[cH:30][cH:31]2)[CH2:6][CH2:7][CH2:8]1)[C:34]([CH3:33])=[O:35]Participants
8
Sources & evidence
- ORD record
- ord-95cb63e3a5d54c9d941a5feafa434495
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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