Ammonium → HCID 86616120, compound

HRID 1147456Notes

Reaction equation

HRID 1147456 reaction equation
[CH2:32]([Br:33])[C:34]#[CH:35].[CH2:5]([CH:6]=[CH2:7])[n:8]1[n:9](-[c:20]2[n:21][c:22]([C:26]([CH3:27])([CH3:28])[OH:29])[cH:23][cH:24][cH:25]2)[c:10]2[n:11][c:12]([S:18][CH3:19])[n:13][cH:14][c:15]2[c:16]1=[O:17].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH:1]([O-:2])=[O:3].[H-:30].[NH4+:4].[Na+:31].[Na+:36].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH:37][C:38](=[O:39])[O-:40]>>[CH2:5]([C:6]#[CH:7])[n:8]1[n:9](-[c:20]2[n:21][c:22]([C:26]([CH3:27])([CH3:28])[OH:29])[cH:23][cH:24][cH:25]2)[c:10]2[n:11][c:12]([S:18][CH3:19])[n:13][cH:14][c:15]2[c:16]1=[O:17]

Participants

10

Reactant 9

HCID 223AmmoniumHCID 283FormateHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 7842Propargyl bromideHCID 8028TetrahydrofuranHCID 166653HydrideHCID 671701891-[6-(2-Hydroxypropan-2-yl)pyridin-2-yl]-6-(methylsulfanyl)-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one

Product 1

HCID 86616120HCID 86616120, compound

Sources & evidence

ORD record
ord-534c7e3f1ab74432854a191f06750963
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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