Acetone → Chloride

HRID 2344438Notes

Reaction equation

HRID 2344438 reaction equation
[CH3:16][S:17]([CH3:18])=[O:19].[CH3:35][OH:36].[CH3:37][C:38](=[O:39])[CH3:40].[Cl-:1].[NH2:2][CH2:3][CH2:4][NH:5][C:6]([CH2:7][CH:8]([CH2:9][N+:10]([CH3:11])([CH3:12])[CH3:13])[OH:14])=[O:15].[O:20]=[c:21]1[c:22]2[n:23][cH:24][n:25]([CH2:30][CH2:31][C:32](=[O:33])[OH:34])[c:26]2[n:27][cH:28][nH:29]1>>[Cl-:1].[NH:2]([CH2:3][CH2:4][NH:5][C:6]([CH2:7][CH:8]([CH2:9][N+:10]([CH3:11])([CH3:12])[CH3:13])[OH:14])=[O:15])[C:32]([CH2:31][CH2:30][n:25]1[cH:24][n:23][c:22]2[c:21](=[O:20])[nH:29][cH:28][n:27][c:26]21)=[O:33]

Participants

8

Reactant 6

HCID 180AcetoneHCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 887MethanolHCID 19908611HCID 19908611, compoundHCID 1354540023-(6-Oxo-3,6-dihydro-9h-purin-9-yl)propanoic acid

Product 2

HCID 312ChlorideHCID 135980157HCID 135980157, compound

Sources & evidence

ORD record
ord-e272dd5078f94ce199096def03d14586
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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