Water → 4-bromo-5-(4,4-dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile
Reaction equation
[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH3:1][C:2]1([CH3:20])[c:3]2[c:4]([cH:9][cH:10][c:11](-[c:13]3[nH:14][c:15]([C:18]#[N:19])[cH:16][cH:17]3)[cH:12]2)[NH:5][C:6](=[O:8])[O:7]1.[O:21]=[C:22]1[N:23]([Br:28])[C:24](=[O:25])[CH2:26][CH2:27]1.[OH2:29]>>[CH3:1][C:2]1([CH3:20])[c:3]2[c:4]([cH:9][cH:10][c:11](-[c:13]3[nH:14][c:15]([C:18]#[N:19])[cH:16][c:17]3[Br:28])[cH:12]2)[NH:5][C:6](=[O:8])[O:7]1Participants
5
Sources & evidence
- ORD record
- ord-c9f305806e8e44bca4e747bb761797d7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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