Acetonitrile → HCID 72524890, compound
Reaction equation
[Br:1][C:2]([CH2:3][NH:4][CH2:5][CH:6]1[N:7]([CH2:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[CH2:8][CH2:9][CH2:10]1)=[CH:18][c:19]1[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]1.[CH3:26][O:27][c:28]1[cH:29][c:30]([C:31](=[O:32])[Cl:33])[cH:34][c:35]([O:39][CH3:40])[c:36]1[O:37][CH3:38].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:55][C:56]#[N:57].[F:48][C:49]([F:50])([F:51])[C:52]([OH:53])=[O:54]>>[Br:1][C:2]([CH2:3][N:4]([CH2:5][CH:6]1[N:7]([CH2:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[CH2:8][CH2:9][CH2:10]1)[C:31]([c:30]1[cH:29][c:28]([O:27][CH3:26])[c:36]([O:37][CH3:38])[c:35]([O:39][CH3:40])[cH:34]1)=[O:32])=[CH:18][c:19]1[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]1Participants
6
Sources & evidence
- ORD record
- ord-d089d733c2694fc48c91afa23301aa47
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…