Acetic Acid → 6-(((1-(2-(6-methoxy-3-oxopyrido(2,3-b)pyrazin-4(3H)-yl)ethyl)piperidin-4-yl)amino)methyl)-2H-pyrido(3,2-b)(1,4)thiazin-3(4H)-one

HRID 685654Notes

Reaction equation

HRID 685654 reaction equation
[C:42]([BH3-:43])#[N:44].[C:46](=[O:47])([O-:48])[OH:49].[CH3:24][OH:25].[CH3:26][O-:27].[CH3:51][OH:52].[CH3:57][C:58](=[O:59])[OH:60].[CH:53]([Cl:54])([Cl:55])[Cl:56].[ClH:1].[NH2:2][CH:3]1[CH2:4][CH2:5][N:6]([CH2:9][CH2:10][n:11]2[c:12]3[c:13]([n:14][cH:15][c:16]2=[O:17])[cH:18][cH:19][c:20]([O:22][CH3:23])[n:21]3)[CH2:7][CH2:8]1.[Na+:28].[Na+:45].[Na+:50].[O:29]=[C:30]1[NH:31][c:32]2[c:33]([cH:36][cH:37][c:38]([CH:40]=[O:41])[n:39]2)[S:34][CH2:35]1>>[NH:2]([CH:3]1[CH2:4][CH2:5][N:6]([CH2:9][CH2:10][n:11]2[c:12]3[c:13]([n:14][cH:15][c:16]2=[O:17])[cH:18][cH:19][c:20]([O:22][CH3:23])[n:21]3)[CH2:7][CH2:8]1)[CH2:40][c:38]1[cH:37][cH:36][c:33]2[c:32]([n:39]1)[NH:31][C:30](=[O:29])[CH2:35][S:34]2

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887Methanol2×HCID 923Sodium ion3×HCID 6212ChloroformHCID 498716Cyano-borohydrideHCID 3826051MethoxideHCID 115935913-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine-6-carbaldehydeHCID 578153944-[2-(4-Aminopiperidin-1-yl)ethyl]-6-methoxypyrido[2,3-b]pyrazin-3(4H)-one

Product 1

HCID 578155166-(((1-(2-(6-methoxy-3-oxopyrido(2,3-b)pyrazin-4(3H)-yl)ethyl)piperidin-4-yl)amino)methyl)-2H-pyrido(3,2-b)(1,4)thiazin-3(4H)-one

Sources & evidence

ORD record
ord-0cbc8fd05a15428995f67ac892578c78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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