Water → 3-[2-amino-4'-fluoro-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]oxy-2,2-dimethylpropanenitrile
Reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[Cs+:33].[Cs+:34].[F:40][C:41]([F:42])([F:43])[S:44]([O:45][CH2:46][C:47]([CH3:48])([CH3:49])[C:50]#[N:51])(=[O:52])=[O:53].[NH2:1][C:2]1=[N:6][C:5]2([CH2:4][O:3]1)[c:7]1[cH:8][c:9](-[c:22]3[c:23]([F:28])[n:24][cH:25][cH:26][cH:27]3)[cH:10][cH:11][c:12]1[O:13][c:14]1[c:15]([F:21])[cH:16][c:17]([OH:20])[cH:18][c:19]12.[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[OH2:54]>>[NH2:1][C:2]1=[N:6][C:5]2([CH2:4][O:3]1)[c:7]1[cH:8][c:9](-[c:22]3[c:23]([F:28])[n:24][cH:25][cH:26][cH:27]3)[cH:10][cH:11][c:12]1[O:13][c:14]1[c:15]([F:21])[cH:16][c:17]([O:20][CH2:46][C:47]([CH3:48])([CH3:49])[C:50]#[N:51])[cH:18][c:19]12Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-0ea6a23debb943c2ada4a9e8fdea8019
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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