Acetate → N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]isoquinoline-5-sulfonamide
Reaction equation
[CH3:28][C:29](=[O:30])[O-:31].[CH3:36][OH:37].[N:32]#[C:33][Br:34].[NH2:1][CH:2]([CH2:3][CH2:4][c:5]1[cH:6][cH:7][c:8]([NH:11][S:12](=[O:13])(=[O:14])[c:15]2[c:16]3[cH:17][cH:18][n:19][cH:20][c:21]3[cH:22][cH:23][cH:24]2)[cH:9][cH:10]1)[CH2:25][OH:26].[NH3:35].[Na+:27]>>[N:1]1=[C:33]([NH2:32])[O:26][CH2:25][CH:2]1[CH2:3][CH2:4][c:5]1[cH:6][cH:7][c:8]([NH:11][S:12](=[O:13])(=[O:14])[c:15]2[c:16]3[cH:17][cH:18][n:19][cH:20][c:21]3[cH:22][cH:23][cH:24]2)[cH:9][cH:10]1Participants
7
Sources & evidence
- ORD record
- ord-5f5a4bd61dbb4c62834d38effad3f7fa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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