Sodium ion → 6-[({1-[2-(6-Methoxy-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one

HRID 1128882Notes

Reaction equation

HRID 1128882 reaction equation
[C:43]([BH3-:44])#[N:45].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:8][CH:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][N:17]2[C:18](=[O:29])[CH2:19][O:20][c:21]3[c:22]2[cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]3)[CH2:13][CH2:14]1.[Na+:46].[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>>[NH:8]([CH:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][N:17]2[C:18](=[O:29])[CH2:19][O:20][c:21]3[c:22]2[cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]3)[CH2:13][CH2:14]1)[CH2:41][c:39]1[cH:38][cH:37][c:34]2[c:33]([n:40]1)[NH:32][C:31](=[O:30])[CH2:36][S:35]2

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 498716Cyano-borohydrideHCID 115935913-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine-6-carbaldehydeHCID 568344824-[2-(4-Aminopiperidin-1-yl)ethyl]-6-methoxy-2H-1,4-benzoxazin 3 (4H)-one

Product 1

HCID 159836786-[({1-[2-(6-Methoxy-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one

Sources & evidence

ORD record
ord-e0b9e8944378477183a538f5b96e6888
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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