Acetic Acid → 7-chloro-6-(((1-(2-(2-oxo-1,7-naphthyridin-1(2H)-yl)ethyl)piperidin-4-yl)amino)methyl)-2H-pyrido(3,2-b)(1,4)thiazin-3(4H)-one

HRID 2337913Notes

Reaction equation

HRID 2337913 reaction equation
[C:41]([BH3-:42])#[N:43].[CH3:22][OH:23].[CH3:24][O-:25].[CH3:45][OH:46].[CH3:47][C:48](=[O:49])[OH:50].[Cl:27][c:28]1[cH:29][c:30]2[c:35]([n:36][c:37]1[CH:38]=[O:39])[NH:34][C:33](=[O:40])[CH2:32][S:31]2.[ClH:1].[NH2:2][CH:3]1[CH2:4][CH2:5][N:6]([CH2:9][CH2:10][n:11]2[c:12](=[O:21])[cH:13][cH:14][c:15]3[cH:16][cH:17][n:18][cH:19][c:20]23)[CH2:7][CH2:8]1.[Na+:26].[Na+:44]>>[NH:2]([CH:3]1[CH2:4][CH2:5][N:6]([CH2:9][CH2:10][n:11]2[c:12](=[O:21])[cH:13][cH:14][c:15]3[cH:16][cH:17][n:18][cH:19][c:20]23)[CH2:7][CH2:8]1)[CH2:38][c:37]1[c:28]([Cl:27])[cH:29][c:30]2[c:35]([n:36]1)[NH:34][C:33](=[O:40])[CH2:32][S:31]2

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 887Methanol2×HCID 923Sodium ion2×HCID 498716Cyano-borohydrideHCID 3826051MethoxideHCID 218735897-Chloro-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine-6-carbaldehydeHCID 578152611-(2-(4-aminopiperidin-1-yl)ethyl)-1,7-naphthyridin-2(1H)-one

Product 1

HCID 248641977-chloro-6-(((1-(2-(2-oxo-1,7-naphthyridin-1(2H)-yl)ethyl)piperidin-4-yl)amino)methyl)-2H-pyrido(3,2-b)(1,4)thiazin-3(4H)-one

Sources & evidence

ORD record
ord-a734afd8bfdf460d8ee5866c1614509f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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