Acetic Acid → 1,1-Dimethylethyl (2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)(1-{2-[6-(methyloxy)-3-oxopyrido[2,3-b]pyrazin-4(3H)-yl]ethyl}-4-piperidinyl)carbamate

HRID 698781Notes

Reaction equation

HRID 698781 reaction equation
[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[C:56](=[O:57])([O-:58])[OH:59].[CH3:26][O:27][c:28]1[cH:29][cH:30][c:31]2[c:32]([n:33]([CH2:38][CH:39]=[O:40])[c:34](=[O:37])[cH:35][n:36]2)[n:41]1.[CH3:68][C:69](=[O:70])[OH:71].[CH:64]([Cl:65])([Cl:66])[Cl:67].[Cl:61][CH2:62][Cl:63].[Na+:55].[Na+:60].[O:1]1[CH2:2][CH2:3][O:4][c:5]2[cH:6][n:7][c:8]([CH2:11][N:12]([C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[CH:20]3[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[cH:9][c:10]21>>[O:1]1[CH2:2][CH2:3][O:4][c:5]2[cH:6][n:7][c:8]([CH2:11][N:12]([C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[CH:20]3[CH2:21][CH2:22][N:23]([CH2:39][CH2:38][n:33]4[c:32]5[c:31]([cH:30][cH:29][c:28]([O:27][CH3:26])[n:41]5)[n:36][cH:35][c:34]4=[O:37])[CH2:24][CH2:25]3)[cH:9][c:10]21

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6212ChloroformHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 57815220(6-methoxy-3-oxopyrido(2,3-b)pyrazin-4(3H)-yl)acetaldehydeHCID 578154611,1-Dimethylethyl (2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-4-piperidinylcarbamate

Product 1

HCID 578152431,1-Dimethylethyl (2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)(1-{2-[6-(methyloxy)-3-oxopyrido[2,3-b]pyrazin-4(3H)-yl]ethyl}-4-piperidinyl)carbamate

Sources & evidence

ORD record
ord-3ab320011f3846c892e0e2b1b0eed6a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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