Sodium ion → 4-(2-{4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]piperidin-1-yl}ethyl)-6-fluoro-2H-1,4-benzoxazin-3(4H)-one

HRID 1563500Notes

Reaction equation

HRID 1563500 reaction equation
[C:34]([BH3-:35])#[N:36].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][N:10]2[C:11](=[O:21])[CH2:12][O:13][c:14]3[c:15]2[cH:16][c:17]([F:20])[cH:18][cH:19]3)[CH2:6][CH2:7]1.[Na+:37].[O:22]1[CH2:23][CH2:24][O:25][c:26]2[cH:27][n:28][c:29]([CH:32]=[O:33])[cH:30][c:31]21>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][N:10]2[C:11](=[O:21])[CH2:12][O:13][c:14]3[c:15]2[cH:16][c:17]([F:20])[cH:18][cH:19]3)[CH2:6][CH2:7]1)[CH2:32][c:29]1[n:28][cH:27][c:26]2[c:31]([cH:30]1)[O:22][CH2:23][CH2:24][O:25]2

Participants

5

Reactant 4

HCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 218736682,3-Dihydro[1,4]dioxino[2,3-c]pyridine-7-carbaldehydeHCID 667743534-[2-(4-Aminopiperidin-1-yl)ethyl]-6-fluoro-2H-1,4-benzoxazin-3(4H)-one

Product 1

HCID 159835544-(2-{4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]piperidin-1-yl}ethyl)-6-fluoro-2H-1,4-benzoxazin-3(4H)-one

Sources & evidence

ORD record
ord-606eae181ee34dada62414adadced0b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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