Acetic Acid → HCID 86607191, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([NH2:24])[s:8][cH:9][c:10]1[C:11]1([c:17]2[cH:18][c:19]([Cl:23])[cH:20][cH:21][cH:22]2)[S:12][CH2:13][CH2:14][CH2:15][S:16]1.[CH3:36][C:37](=[O:38])[OH:39].[O:25]=[C:26]1[O:27][C:28](=[O:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]21>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([N:24]2[C:26](=[O:25])[c:35]3[c:30]([cH:31][cH:32][cH:33][cH:34]3)[C:28]2=[O:27])[s:8][cH:9][c:10]1[C:11]1([c:17]2[cH:18][c:19]([Cl:23])[cH:20][cH:21][cH:22]2)[S:12][CH2:13][CH2:14][CH2:15][S:16]1Participants
4
Sources & evidence
- ORD record
- ord-bd0b02cf4e0143ed8d96b145fb4ae1b3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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