Acetic Acid → HCID 72265020, compound
Reaction equation
[C:35]([OH:36])(=[O:37])[CH3:38].[F:1][C:2]([c:3]1[n:4][n:5](-[c:12]2[cH:13][cH:14][c:15]([CH:16]=[O:17])[cH:18][cH:19]2)[c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1)([F:20])[F:21].[F:22][c:23]1[c:24]([C:30]([CH2:31][C:32]#[N:33])=[O:34])[cH:25][cH:26][cH:27][c:28]1[F:29].[NH:39]1[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1.[cH:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[F:1][C:2]([c:3]1[n:4][n:5](-[c:12]2[cH:13][cH:14][c:15]([CH:16]=[C:31]([C:30]([c:24]3[c:23]([F:22])[c:28]([F:29])[cH:27][cH:26][cH:25]3)=[O:34])[C:32]#[N:33])[cH:18][cH:19]2)[c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1)([F:20])[F:21]Participants
6
Sources & evidence
- ORD record
- ord-79776a213f8c4e8abd455f2f843c03e1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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