Sodium ion → 6-{[(2-{4-[3-fluoro-6-(methyloxy)-1,5-naphthyridin-4-yl]-1-piperazinyl}ethyl)amino]methyl}-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one

HRID 665170Notes

Reaction equation

HRID 665170 reaction equation
[BH4-:43].[F:1][c:2]1[cH:3][n:4][c:5]2[cH:6][cH:7][c:8]([O:21][CH3:22])[n:9][c:10]2[c:11]1[N:12]1[CH2:13][CH2:14][N:15]([CH2:18][CH2:19][NH2:20])[CH2:16][CH2:17]1.[Na+:23].[Na+:24].[Na+:44].[O-:25][S:26]([O-:27])(=[O:28])=[O:29].[O:30]=[C:31]1[NH:32][c:33]2[c:34]([cH:37][cH:38][c:39]([CH:41]=[O:42])[n:40]2)[S:35][CH2:36]1>>[F:1][c:2]1[cH:3][n:4][c:5]2[cH:6][cH:7][c:8]([O:21][CH3:22])[n:9][c:10]2[c:11]1[N:12]1[CH2:13][CH2:14][N:15]([CH2:18][CH2:19][NH:20][CH2:41][c:39]2[cH:38][cH:37][c:34]3[c:33]([n:40]2)[NH:32][C:31](=[O:30])[CH2:36][S:35]3)[CH2:16][CH2:17]1

Participants

6

Reactant 5

HCID 923Sodium ion3×HCID 1117Sulfate IonHCID 28123BorohydrideHCID 115935913-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine-6-carbaldehydeHCID 57599574(2-{4-[3-Fluoro-6-(methyloxy)-1,5-naphthyridin-4-yl]-1-piperazinyl}ethyl)amine

Product 1

HCID 115259156-{[(2-{4-[3-fluoro-6-(methyloxy)-1,5-naphthyridin-4-yl]-1-piperazinyl}ethyl)amino]methyl}-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one

Sources & evidence

ORD record
ord-7e3a56f82d9e4ba4863339f72961ab41
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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