Methanol → 4-[7-(2-Butynyl)-1-(2,2-dimethylpropionyloxymethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]3[n:17]([CH2:37][O:38][C:39](=[O:40])[C:41]([CH3:42])([CH3:43])[CH3:44])[c:18](=[O:36])[n:19]([CH2:28][O:29][C:30]([C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[c:20](=[O:27])[c:21]3[n:22]2[CH2:23][C:24]#[C:25][CH3:26])[CH2:12][CH2:13]1.[C:52]12=[N:62][NH:61][CH2:60][CH2:59][CH2:58][CH:57]1[CH2:56][CH2:55][CH2:54][CH2:53]2.[CH3:50][OH:51].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]3[nH:17][c:18](=[O:36])[n:19]([CH2:28][O:29][C:30]([C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[c:20](=[O:27])[c:21]3[n:22]2[CH2:23][C:24]#[C:25][CH3:26])[CH2:12][CH2:13]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-9760dd50cd1d4f729ed27b2b950d2971
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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