Dimethyl Sulfoxide → 6-{[6-(1-oxa-5-azaspiro[2.4]hept-5-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl]methyl}quinoline

HRID 669134

Reaction equation

HRID 669134 reaction equation
[CH3:35][S:36]([CH3:37])=[O:38].[CH3:4][S+:5]([CH3:6])[CH3:7].[H-:2].[I-:3].[Na+:1].[OH2:34].[n:8]1[cH:9][cH:10][cH:11][c:12]2[cH:13][c:14]([CH2:18][n:19]3[n:20][n:21][c:22]4[c:23]3[n:24][c:25]([N:28]3[CH2:29][C:30](=[O:33])[CH2:31][CH2:32]3)[cH:26][n:27]4)[cH:15][cH:16][c:17]12>>[CH2:4]1[C:30]2([CH2:29][N:28]([c:25]3[n:24][c:23]4[n:19]([CH2:18][c:14]5[cH:13][c:12]6[cH:11][cH:10][cH:9][n:8][c:17]6[cH:16][cH:15]5)[n:20][n:21][c:22]4[n:27][cH:26]3)[CH2:32][CH2:31]2)[O:33]1

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 962WaterHCID 1147TrimethylsulfoniumHCID 30165Iodide IonHCID 166653HydrideHCID 593418151-[1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl]pyrrolidin-3-one

Product 1

HCID 593419626-{[6-(1-oxa-5-azaspiro[2.4]hept-5-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl]methyl}quinoline

Sources & evidence

ORD record
ord-4330dc6348034b9fb1db3563a2b80c03
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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