Sodium ion → 6-(2-amino-5-(4-(ethylsulfonyl)phenyl)pyridin-3-yl)-3,4-dihydroisoquinolin-1(2H)-one
Reaction equation
[Br:1][c:2]1[c:3]([NH2:19])[n:4][cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH2:17][CH3:18])[cH:12][cH:13]2)[cH:7]1.[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][C:41]#[N:42].[Na+:38].[Na+:39].[O:20]=[C:21]1[NH:22][CH2:23][CH2:24][c:25]2[cH:26][c:27]([B:31]([OH:32])[OH:33])[cH:28][cH:29][c:30]21.[OH2:84].[Pd:43]([Cl:44])[Cl:45].[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80][cH:81][cH:82][cH:83]1>>[c:2]1(-[c:27]2[cH:26][c:25]3[c:30]([cH:29][cH:28]2)[C:21](=[O:20])[NH:22][CH2:23][CH2:24]3)[c:3]([NH2:19])[n:4][cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH2:17][CH3:18])[cH:12][cH:13]2)[cH:7]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-fe099e29037040b4916884b05fa65bf0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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