Hydrochloric Acid → N-(5-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

HRID 161723

Reaction equation

HRID 161723 reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[CH3:1][O:2][c:3]1[n:4][cH:5][c:6]2[c:7]([n:8]1)[s:9][c:10]([N:12]=[C:13]([S:14][CH3:15])[S:16][CH3:17])[n:11]2.[ClH:18].[ClH:19].[Cs+:35].[Cs+:36].[NH2:20][CH2:21][C:22]1([OH:30])[CH2:23][N:24]2[CH2:25][CH2:26][CH:27]1[CH2:28][CH2:29]2.[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:37]>>[CH3:1][O:2][c:3]1[n:4][cH:5][c:6]2[c:7]([n:8]1)[s:9][c:10]([NH:12][C:13]1=[N:20][CH2:21][C:22]3([CH2:23][N:24]4[CH2:25][CH2:26][CH:27]3[CH2:28][CH2:29]4)[O:30]1)[n:11]2

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 147899783-(Aminomethyl)quinuclidin-3-olHCID 58088039Dimethyl (5-methoxythiazolo[5,4-d]pyrimidin-2-yl)carbonimidodithioate

Product 1

HCID 76663394N-(5-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

Sources & evidence

ORD record
ord-d6f65fcccca8421f88d5d71528f764a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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