Hydrochloric Acid → HCID 178446222, compound

HRID 94248Notes

Reaction equation

HRID 94248 reaction equation
[C:25](=[O:26])([O-:27])[O-:28].[CH3:34][CH2:35][OH:36].[Cl:1][c:2]1[n:3][c:4]2[n:5]([CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[c:6](=[O:18])[n:7]([CH2:12][CH2:13][CH2:14][CH2:15][C:16]#[N:17])[c:8](=[O:11])[c:9]2[nH:10]1.[ClH:31].[K+:29].[K+:30].[NH2:32][OH:33].[OH2:24]>>[Cl:1][c:2]1[n:3][c:4]2[n:5]([CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[c:6](=[O:18])[n:7]([CH2:12][CH2:13][CH2:14][CH2:15][C:16]([NH:17][OH:24])=[NH:32])[c:8](=[O:11])[c:9]2[nH:10]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 787HydroxylamineHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 593957065-(8-chloro-2,6-dioxo-3-pentyl-2,3,6,7-tetrahydro-1H-purin-1-yl)pentanenitrile

Product 1

HCID 178446222HCID 178446222, compound

Sources & evidence

ORD record
ord-ae3c0d93fc9149698b92d47b5fd563fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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