Acetic Acid → HCID 18509616, compound
Reaction equation
[CH3:20][C:21]([OH:22])=[O:23].[O:24]=[C:25]([O:26][CH2:27][CH3:28])[N:29]=[N:30][C:31]([O:32][CH2:33][CH3:34])=[O:35].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH:1][CH:2]1[CH2:3][CH2:4][CH:5]([NH:8][c:9]2[c:10]([N+:17](=[O:18])[O-:19])[cH:11][c:12]([C:13]#[N:14])[cH:15][cH:16]2)[CH2:6][CH2:7]1.[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[O:1]([CH:2]1[CH2:3][CH2:4][CH:5]([NH:8][c:9]2[c:10]([N+:17](=[O:18])[O-:19])[cH:11][c:12]([C:13]#[N:14])[cH:15][cH:16]2)[CH2:6][CH2:7]1)[C:21]([CH3:20])=[O:22]Participants
6
Sources & evidence
- ORD record
- ord-ad5197ec4d6742d4b27dfd1222e44171
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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