Calcium Cation → N-{5-[(5-aminopyridin-2-yl)oxy]-4-chloro-2-fluorophenyl}-3-(1-cyano-1-methylethyl)benzamide
Reaction equation
[CH3:36][CH2:37][OH:38].[Ca+2:35].[Cl-:33].[Cl-:34].[Cl:1][c:2]1[cH:3][c:4]([F:32])[c:5]([NH:18][C:19]([c:20]2[cH:21][c:22]([C:26]([CH3:27])([CH3:28])[C:29]#[N:30])[cH:23][cH:24][cH:25]2)=[O:31])[cH:6][c:7]1[O:8][c:9]1[n:10][cH:11][c:12]([N+:15]([O-:16])=[O:17])[cH:13][cH:14]1.[Fe:39]>>[Cl:1][c:2]1[cH:3][c:4]([F:32])[c:5]([NH:18][C:19]([c:20]2[cH:21][c:22]([C:26]([CH3:27])([CH3:28])[C:29]#[N:30])[cH:23][cH:24][cH:25]2)=[O:31])[cH:6][c:7]1[O:8][c:9]1[n:10][cH:11][c:12]([NH2:15])[cH:13][cH:14]1Participants
6
Sources & evidence
- ORD record
- ord-39a266403e944934838287a0c2ba3534
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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