Hydrochloric Acid → 4-[7-(2-butynyl)-3-(2-ethoxyethyl)-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][CH2:38][O:39][CH2:40][CH3:41])[c:18](=[O:36])[n:19]([CH2:28][O:29][C:30](=[O:31])[C:32]([CH3:33])([CH3:34])[CH3:35])[c:20](=[O:27])[c:21]3[n:22]2[CH2:23][C:24]#[C:25][CH3:26])[CH2:12][CH2:13]1.[CH3:50][OH:51].[ClH:44].[H-:42].[Na+:43].[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[n:17]([CH2:37][CH2:38][O:39][CH2:40][CH3:41])[c:18](=[O:36])[nH:19][c:20](=[O:27])[c:21]3[n:22]2[CH2:23][C:24]#[C:25][CH3:26])[CH2:12][CH2:13]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-caddbe1a5501479a9b9b850dc0fd7dae
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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