Acetic Acid → HCID 57885674, compound
Reaction equation
[C:39]([OH:40])(=[O:41])[CH3:42].[CH3:43][OH:44].[CH:31]([CH3:32])=[O:33].[NH2:1][CH:2]1[CH2:3][CH2:4][CH:5]([CH2:8][NH:9][c:10]2[n:11][c:12]([NH:18][CH2:19][c:20]3[c:21]([O:26][C:27]([F:28])([F:29])[F:30])[cH:22][cH:23][cH:24][cH:25]3)[n:13][cH:14][c:15]2[C:16]#[N:17])[CH2:6][CH2:7]1.[Na+:38].[O-:34][C:35]([OH:36])=[O:37]>>[NH:1]([CH:2]1[CH2:3][CH2:4][CH:5]([CH2:8][NH:9][c:10]2[n:11][c:12]([NH:18][CH2:19][c:20]3[c:21]([O:26][C:27]([F:28])([F:29])[F:30])[cH:22][cH:23][cH:24][cH:25]3)[n:13][cH:14][c:15]2[C:16]#[N:17])[CH2:6][CH2:7]1)[CH2:31][CH3:32]Participants
7
Sources & evidence
- ORD record
- ord-959eac8f1034462baab92dae9e5432ee
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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