Hydrogen Sulfide → 4-amino-3-(6-chloro-8-oxo-9-(tetrahydro-2H-pyran-4-yl)-8,9-dihydro-7H-purin-2-ylamino)benzonitrile
Reaction equation
[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[Cl:1][c:2]1[c:3]2[nH:4][c:5](=[O:29])[n:6]([CH:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[c:7]2[n:8][c:9]([NH:11][c:12]2[cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18][c:19]2[N+:20]([O-:21])=[O:22])[n:10]1.[S:30]>>[Cl:1][c:2]1[c:3]2[nH:4][c:5](=[O:29])[n:6]([CH:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[c:7]2[n:8][c:9]([NH:11][c:12]2[cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18][c:19]2[NH2:20])[n:10]1Participants
4
Sources & evidence
- ORD record
- ord-60b005bf53fd45568bce751e3b1559ef
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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