Acetic Acid → 6-Bromo-8-[(cyclopropyl-amino)-methyl]-2,2,4,4-tetramethyl-chroman
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:9]([c:10]([CH:12]=[O:13])[cH:11]1)[O:8][C:7]([CH3:14])([CH3:15])[CH2:6][C:5]2([CH3:16])[CH3:17].[C:25]([BH3-:26])#[N:27].[CH3:18][C:19]#[N:20].[CH3:32][C:33](=[O:34])[OH:35].[CH:21]1([NH2:24])[CH2:22][CH2:23]1.[Cl:29][CH2:30][Cl:31].[Na+:28]>>[Br:1][c:2]1[cH:3][c:4]2[c:9]([c:10]([CH2:12][NH:24][CH:21]3[CH2:22][CH2:23]3)[cH:11]1)[O:8][C:7]([CH3:14])([CH3:15])[CH2:6][C:5]2([CH3:16])[CH3:17]Participants
8
Sources & evidence
- ORD record
- ord-bfb472253dcb4dd0ae01a03034814cbc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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