Hydrochloric Acid → HCID 23536871, compound

HRID 1119601Notes

Reaction equation

HRID 1119601 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]([CH3:39])[c:18](=[O:38])[n:19]([CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[c:20](=[O:31])[c:21]3[n:22]2-[c:23]2[c:24]([O:29][CH3:30])[cH:25][cH:26][cH:27][cH:28]2)[CH2:12][CH2:13]1.[CH3:43][CH2:44][OH:45].[ClH:42].[Na+:41].[OH-:40]>>[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]([CH3:39])[c:18](=[O:38])[n:19]([CH2:32][C:33](=[O:34])[OH:35])[c:20](=[O:31])[c:21]3[n:22]2-[c:23]2[c:24]([O:29][CH3:30])[cH:25][cH:26][cH:27][cH:28]2)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 235369634-[7-(2-Methoxyphenyl)-1-(ethoxycarbonylmethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 23536871HCID 23536871, compound

Sources & evidence

ORD record
ord-e592600fa8fe4b299f4f75b74e1026e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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