Acetonitrile → HCID 86615295, compound
Reaction equation
[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[N:33]1[CH2:34][CH2:35][CH:36]([NH2:39])[CH2:37][CH2:38]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:47][C:48]([N:49]([CH3:50])[CH3:51])=[O:52].[CH3:53][C:54]#[N:55].[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([NH:10][C:11](=[O:12])[c:13]2[c:14]([C:20]([F:21])([F:22])[F:23])[n:15][c:16]([Cl:19])[n:17][cH:18]2)[cH:8][cH:9]1)([F:24])[F:25]>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([NH:10][C:11](=[O:12])[c:13]2[c:14]([C:20]([F:21])([F:22])[F:23])[n:15][c:16]([NH:39][CH:36]3[CH2:35][CH2:34][N:33]([C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[CH2:38][CH2:37]3)[n:17][cH:18]2)[cH:8][cH:9]1)([F:24])[F:25]Participants
6
Sources & evidence
- ORD record
- ord-874cec18c1684d45b36611d880bea3a1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…