Acetonitrile → 2,2-Dimethyl-propionic acid 8-(4-acetylamino-benzyl)-3-butyl-1-(2-fluoro-5-nitro-benzyl)-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-ylmethyl ester
Reaction equation
[Br:46][CH2:47][c:48]1[c:49]([F:57])[cH:50][cH:51][c:52]([N+:54](=[O:55])[O-:56])[cH:53]1.[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][c:10]2[n:11][c:12]3[n:13]([CH2:29][CH2:30][CH2:31][CH3:32])[c:14](=[O:28])[nH:15][c:16](=[O:27])[c:17]3[n:18]2[CH2:19][O:20][C:21]([C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[cH:33][cH:34]1.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH3:64][C:65]#[N:66].[N:35]12[CH2:36][CH2:37][CH2:38][N:39]=[C:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][c:10]2[n:11][c:12]3[n:13]([CH2:29][CH2:30][CH2:31][CH3:32])[c:14](=[O:28])[n:15]([CH2:47][c:48]4[c:49]([F:57])[cH:50][cH:51][c:52]([N+:54](=[O:55])[O-:56])[cH:53]4)[c:16](=[O:27])[c:17]3[n:18]2[CH2:19][O:20][C:21]([C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[cH:33][cH:34]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-1a817be1ef86413493c8f1d5c1e99eb0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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