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

HRID 168995Notes

Reaction equation

HRID 168995 reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[C:51](=[O:52])([O-:53])[OH:54].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[CH3:69][C:70](=[O:71])[OH:72].[CH3:73][N:74]([CH3:75])[CH:76]=[O:77].[ClH:1].[NH2:2][CH:3]1[CH2:4][CH2:5][N:6]([CH2:9][CH2:10][n:11]2[c:12](=[O:23])[cH:13][n:14][c:15]3[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][c:20]23)[CH2:7][CH2:8]1.[Na+:50].[Na+:55].[O:24]=[C:25]1[NH:26][c:27]2[c:28]([cH:31][cH:32][c:33]([CH:35]=[O:36])[n:34]2)[S:29][CH2:30]1>>[NH:2]([CH:3]1[CH2:4][CH2:5][N:6]([CH2:9][CH2:10][n:11]2[c:12](=[O:23])[cH:13][n:14][c:15]3[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][c:20]23)[CH2:7][CH2:8]1)[CH2:35][c:33]1[cH:32][cH:31][c:28]2[c:27]([n:34]1)[NH:26][C:25](=[O:24])[CH2:30][S:29]2

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 115935913-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine-6-carbaldehydeHCID 593978381-[2-(4-Aminopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2(1H)-one

Product 1

HCID 159825356-(((1-(2-(7-methoxy-2-oxoquinoxalin-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-e18586cb71874c22ad66372d64b8cd6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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