Acetic Acid → HCID 178520238, compound
Reaction equation
[CH3:40][C:41](=[O:42])[OH:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[c:16]1([CH2:22][C:23](=[O:24])[NH:25][CH:26]2[CH:27]3[N:28]([CH:29]([C:35](=[O:36])[OH:37])[CH:30]([CH2:33][OH:34])[CH2:31][S:32]3)[C:38]2=[O:39])[cH:17][cH:18][cH:19][cH:20][cH:21]1.[c:1]1([C:7](=[N+:8]=[N-:9])[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[O:37][C:35]([CH:29]2[N:28]3[CH:27]([CH:26]([NH:25][C:23]([CH2:22][c:16]4[cH:17][cH:18][cH:19][cH:20][cH:21]4)=[O:24])[C:38]3=[O:39])[S:32][CH2:31][CH:30]2[CH2:33][OH:34])=[O:36])[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-ecc1af9253634c84b5e53631fbb0f583
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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