Bicarbonate Ion → 3-(2,5-Dichloropyrimidin-4-ylamino)azepan-2-one
Reaction equation
[CH3:24][OH:25].[Cl:10][c:11]1[n:12][cH:13][c:14]([Cl:18])[c:15]([Cl:17])[n:16]1.[NH2:1][CH:2]1[C:3](=[O:4])[NH:5][CH2:6][CH2:7][CH2:8][CH2:9]1.[Na+:23].[O-:19][C:20]([OH:21])=[O:22].[OH2:26]>>[NH:1]([CH:2]1[C:3](=[O:4])[NH:5][CH2:6][CH2:7][CH2:8][CH2:9]1)[c:15]1[c:14]([Cl:18])[cH:13][n:12][c:11]([Cl:10])[n:16]1Participants
7
Sources & evidence
- ORD record
- ord-a6eb7726a26a422d9704415171a565da
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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