Sodium ion → Dimethyl 2-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl]propanedioate

HRID 2124201Notes

Reaction equation

HRID 2124201 reaction equation
[C:1]([CH2:2][C:3](=[O:4])[O:5][CH3:6])(=[O:7])[O:8][CH3:9].[CH3:12][S:13]([OH:14])(=[O:15])=[O:16].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[H-:10].[Na+:11].[o:17]1[n:18][c:19]([N:26]2[CH2:27][CH:28]3[N:29]([CH2:30][CH2:31]2)[CH2:32][CH:33]([CH2:36][O:37][S:38]([CH3:39])(=[O:40])=[O:41])[CH2:34][CH2:35]3)[c:20]2[c:21]1[cH:22][cH:23][cH:24][cH:25]2>>[C:1]([CH:2]([C:3](=[O:4])[O:5][CH3:6])[CH2:36][CH:33]1[CH2:32][N:29]2[CH:28]([CH2:27][N:26]([c:19]3[n:18][o:17][c:21]4[c:20]3[cH:25][cH:24][cH:23][cH:22]4)[CH2:31][CH2:30]2)[CH2:35][CH2:34]1)(=[O:7])[O:8][CH3:9]

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 6395Methanesulfonic AcidHCID 7943Dimethyl malonateHCID 166653HydrideHCID 19699662HCID 19699662, compound

Product 1

HCID 67703754Dimethyl 2-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl]propanedioate

Sources & evidence

ORD record
ord-aeb0d2b2acf44d399c0d8e819f842369
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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