Methane → {2-[3-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl}-(1-methyl-cyclohexyl)-methanone

HRID 161689Notes

Reaction equation

HRID 161689 reaction equation
[CH3:1][C:2]1([C:8](=[O:9])[c:10]2[cH:11][nH:12][c:13]3[n:14][cH:15][c:16](-[c:19]4[cH:20][c:21]([N:25]5[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]5)[cH:22][cH:23][cH:24]4)[n:17][c:18]23)[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[CH4:36].[ClH:37].[S:31](=[O:32])(=[O:33])([Cl:34])[Cl:35].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[CH3:1][C:2]1([C:8](=[O:9])[c:10]2[cH:11][nH:12][c:13]3[n:14][cH:15][c:16](-[c:19]4[cH:20][c:21]([N:25]5[CH2:26][CH2:27][N:28]([S:31](=[O:32])(=[O:33])[CH3:36])[CH2:29][CH2:30]5)[cH:22][cH:23][cH:24]4)[n:17][c:18]23)[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 297MethaneHCID 313Hydrochloric AcidHCID 1049PyridineHCID 24648Sulfuryl chlorideHCID 59540704(1-methyl-cyclohexyl)-[2-(3-piperazin-1-yl-phenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-methanone

Product 1

HCID 59540692{2-[3-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl}-(1-methyl-cyclohexyl)-methanone

Sources & evidence

ORD record
ord-24024485f00443b8ae91fb4dfbd9b0a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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