Acetic Acid → HCID 178456726, compound
Reaction equation
[C:40]([BH3-:41])#[N:42].[CH3:1][C:2]([CH3:3])([c:4]1[n:5][c:6]([C:10]([F:11])([F:12])[F:13])[cH:7][cH:8][cH:9]1)[NH:14][C:15]1=[CH:19][CH:18]([c:20]2[cH:21][c:22]([O:26][C:27]([F:28])([F:29])[F:30])[cH:23][cH:24][cH:25]2)[N:17]([c:31]2[cH:32][cH:33][c:34]([C:35]#[N:36])[cH:37][cH:38]2)[C:16]1=[O:39].[CH3:44][C:45](=[O:46])[OH:47].[Na+:43]>>[CH3:1][C:2]([CH3:3])([c:4]1[n:5][c:6]([C:10]([F:11])([F:12])[F:13])[cH:7][cH:8][cH:9]1)[NH:14][CH:15]1[C:16](=[O:39])[N:17]([c:31]2[cH:32][cH:33][c:34]([C:35]#[N:36])[cH:37][cH:38]2)[CH:18]([c:20]2[cH:21][c:22]([O:26][C:27]([F:28])([F:29])[F:30])[cH:23][cH:24][cH:25]2)[CH2:19]1Participants
5
Sources & evidence
- ORD record
- ord-4ff5ba74895346938ad9244d125b91ca
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)