Hydrochloric Acid → HCID 23070654, compound

HRID 94287Notes

Reaction equation

HRID 94287 reaction equation
[CH3:44][OH:45].[Cl:1][c:2]1[c:3](-[n:8]2[c:9]([N:28]3[CH2:29][CH2:30][N:31]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:32][CH2:33]3)[n:10][c:11]3[n:12]([CH2:20][O:21][C:22](=[O:23])[C:24]([CH3:25])([CH3:26])[CH3:27])[c:13](=[O:19])[n:14]([CH3:18])[c:15](=[O:17])[c:16]23)[cH:4][cH:5][cH:6][cH:7]1.[ClH:43].[H-:41].[Na+:42].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1>>[Cl:1][c:2]1[c:3](-[n:8]2[c:9]([N:28]3[CH2:29][CH2:30][N:31]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:32][CH2:33]3)[n:10][c:11]3[nH:12][c:13](=[O:19])[n:14]([CH3:18])[c:15](=[O:17])[c:16]23)[cH:4][cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 166653HydrideHCID 23070635t-Butyl 4-[7-(2-chlorophenyl)-3-(2,2-dimethylpropionyloxymethyl)-1-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazine-1-carboxylate

Product 1

HCID 23070654HCID 23070654, compound

Sources & evidence

ORD record
ord-d45d442bc59d4125a8d9cd81a05f8ae5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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