Hydrochloric Acid → tert-butyl (2,3-dihydro(1,4)dioxino(2,3-c)pyridin-7-ylmethyl)(1-(2-(7-fluoro-2-oxo-1,5-naphthyridin-1(2H)-yl)ethyl)piperidin-4-yl)carbamate

HRID 133918Notes

Reaction equation

HRID 133918 reaction equation
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH3:60][N:61]1[CH2:62][CH2:63][CH2:64][C:65]1=[O:66].[ClH:28].[F:29][c:30]1[cH:31][n:32][c:33]2[cH:34][cH:35][c:36](=[O:43])[n:37]([CH2:40][CH:41]=[O:42])[c:38]2[cH:39]1.[Na+:57].[Na+:59].[O:2]1[CH2:3][CH2:4][O:5][c:6]2[cH:7][n:8][c:9]([CH2:12][N:13]([C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH:21]3[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]3)[cH:10][c:11]21.[OH-:58].[OH2:1].[OH2:27].[OH2:67]>>[O:2]1[CH2:3][CH2:4][O:5][c:6]2[cH:7][n:8][c:9]([CH2:12][N:13]([C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH:21]3[CH2:22][CH2:23][N:24]([CH2:41][CH2:40][n:37]4[c:36](=[O:43])[cH:35][cH:34][c:33]5[n:32][cH:31][c:30]([F:29])[cH:39][c:38]54)[CH2:25][CH2:26]3)[cH:10][c:11]21

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 962Water3×HCID 13387N-methyl-2-pyrrolidoneHCID 2724942TriacetoxyborohydrideHCID 578152751,5-Naphthyridine-1(2H)-acetaldehyde, 7-fluoro-2-oxo-HCID 578154611,1-Dimethylethyl (2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-4-piperidinylcarbamate

Product 1

HCID 57815262tert-butyl (2,3-dihydro(1,4)dioxino(2,3-c)pyridin-7-ylmethyl)(1-(2-(7-fluoro-2-oxo-1,5-naphthyridin-1(2H)-yl)ethyl)piperidin-4-yl)carbamate

Sources & evidence

ORD record
ord-0a57c39d977f4ae8b0fd68b98fb132c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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