Trifluoroacetic acid → HCID 178441391, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C:8]1([CH2:38][CH:39]([CH3:40])[CH3:41])[N:9]([C:26]([c:27]2[cH:28][cH:29][c:30]([C:33]([CH3:34])([CH3:35])[CH3:36])[cH:31][cH:32]2)=[O:37])[CH:10]([c:21]2[cH:22][n:23][cH:24][s:25]2)[CH:11]([c:13]2[n:14][cH:15][cH:16][c:17]([C:19]#[N:20])[cH:18]2)[CH2:12]1.[F:42][C:43]([F:44])([F:45])[C:46]([OH:47])=[O:48]>>[O:5]=[C:6]([OH:7])[C:8]1([CH2:38][CH:39]([CH3:40])[CH3:41])[N:9]([C:26]([c:27]2[cH:28][cH:29][c:30]([C:33]([CH3:34])([CH3:35])[CH3:36])[cH:31][cH:32]2)=[O:37])[CH:10]([c:21]2[cH:22][n:23][cH:24][s:25]2)[CH:11]([c:13]2[n:14][cH:15][cH:16][c:17]([C:19]#[N:20])[cH:18]2)[CH2:12]1Participants
3
Sources & evidence
- ORD record
- ord-cb00b5d1c63147e6992c7672e30f16bf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…