Acetic Acid → 1-(2-Aminobenzoyl)-3-(4-(5-bromopyrimidin-2-ylsulfanyl)phenyl)urea
Reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]([S:8][c:9]2[cH:10][cH:11][c:12]([NH:15][C:16](=[O:17])[NH:18][C:19]([c:20]3[c:21]([N+:26]([O-:27])=[O:28])[cH:22][cH:23][cH:24][cH:25]3)=[O:29])[cH:13][cH:14]2)[n:6][cH:7]1.[C:30]([OH:31])(=[O:32])[CH3:33].[Fe:35].[OH2:34]>>[Br:1][c:2]1[cH:3][n:4][c:5]([S:8][c:9]2[cH:10][cH:11][c:12]([NH:15][C:16](=[O:17])[NH:18][C:19]([c:20]3[c:21]([NH2:26])[cH:22][cH:23][cH:24][cH:25]3)=[O:29])[cH:13][cH:14]2)[n:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-5ce8b5e800a447e1948d5938bc6a5770
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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