Acetic Acid → tert-butyl (2,3-dihydro(1,4)dioxino(2,3-c)pyridin-7-ylmethyl)(1-(2-(3-oxo-6-(1H-1,2,4-triazol-1-yl)pyrido(2,3-b)pyrazin-4(3H)-yl)ethyl)piperidin-4-yl)carbamate

HRID 107689Notes

Reaction equation

HRID 107689 reaction equation
[C:45]([BH3-:46])#[N:47].[C:49](=[O:50])([O-:51])[OH:52].[CH3:54][OH:55].[CH3:60][C:61](=[O:62])[OH:63].[CH:56]([Cl:57])([Cl:58])[Cl:59].[Cl:64][CH2:65][Cl:66].[Na+:48].[Na+:53].[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:26]=[c:27]1[cH:28][n:29][c:30]2[c:31]([n:32]1[CH2:33][CH:34]=[O:35])[n:36][c:37](-[n:40]1[n:41][cH:42][n:43][cH:44]1)[cH:38][cH:39]2>>[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]([CH2:34][CH2:33][n:32]4[c:27](=[O:26])[cH:28][n:29][c:30]5[c:31]4[n:36][c:37](-[n:40]4[n:41][cH:42][n:43][cH:44]4)[cH:38][cH:39]5)[CH2:24][CH2:25]3)[cH:9][c:10]21

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 6212ChloroformHCID 6344DichloromethaneHCID 498716Cyano-borohydrideHCID 578154611,1-Dimethylethyl (2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-4-piperidinylcarbamateHCID 57815520(3-oxo-6-(1H-1,2,4-triazol-1-yl)pyrido(2,3-b)pyrazin-4(3H)-yl)acetaldehyde

Product 1

HCID 57815294tert-butyl (2,3-dihydro(1,4)dioxino(2,3-c)pyridin-7-ylmethyl)(1-(2-(3-oxo-6-(1H-1,2,4-triazol-1-yl)pyrido(2,3-b)pyrazin-4(3H)-yl)ethyl)piperidin-4-yl)carbamate

Sources & evidence

ORD record
ord-9be3b4dc9e394243b07ba1a86fb2f13a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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