Calcium Cation → HCID 178462541, compound
Reaction equation
[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[Ca+2:19].[F:1][c:2]1[c:3]([C:9]2([CH2:13][n:14]3[n:15][cH:16][n:17][cH:18]3)[O:10][CH:11]2[CH3:12])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[O-:20][C:21](=[O:22])[O-:23].[nH:24]1[n:25][cH:26][c:27]([CH:29]=[CH:30][c:31]2[cH:32][cH:33][c:34]([C:35]#[N:36])[cH:37][cH:38]2)[cH:28]1>>[F:1][c:2]1[c:3]([C:9]([OH:10])([CH:11]([CH3:12])[n:24]2[n:25][cH:26][c:27]([CH:29]=[CH:30][c:31]3[cH:32][cH:33][c:34]([C:35]#[N:36])[cH:37][cH:38]3)[cH:28]2)[CH2:13][n:14]2[n:15][cH:16][n:17][cH:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-63e950206b8e4036b8433cc9637dea40
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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