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

HRID 1224760Notes

Reaction equation

HRID 1224760 reaction equation
[C:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[C:59](=[O:60])([O-:61])[OH:62].[CH3:71][C:72](=[O:73])[OH:74].[CH:67]([Cl:68])([Cl:69])[Cl:70].[Cl:64][CH2:65][Cl:66].[Na+:58].[Na+:63].[O:20]1[CH2:21][CH2:22][O:23][c:24]2[cH:25][n:26][c:27]([CH2:30][N:31]([C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH:39]3[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]3)[cH:28][c:29]21.[n:1]1(-[c:6]2[cH:7][n:8][c:9]3[cH:10][cH:11][c:12](=[O:19])[n:13]([CH2:16][CH:17]=[O:18])[c:14]3[cH:15]2)[cH:2][n:3][cH:4][cH:5]1>>[n:1]1(-[c:6]2[cH:7][n:8][c:9]3[cH:10][cH:11][c:12](=[O:19])[n:13]([CH2:16][CH2:17][N:42]4[CH2:41][CH2:40][CH:39]([N:31]([CH2:30][c:27]5[n:26][cH:25][c:24]6[c:29]([cH:28]5)[O:20][CH2:21][CH2:22][O:23]6)[C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:44][CH2:43]4)[c:14]3[cH:15]2)[cH:2][n:3][cH:4][cH:5]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6212ChloroformHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 57815312(7-(1H-imidazol-1-yl)-2-oxo-1,5-naphthyridin-1(2H)-yl)acetaldehydeHCID 578154611,1-Dimethylethyl (2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-4-piperidinylcarbamate

Product 1

HCID 57815487tert-butyl (2,3-dihydro(1,4)dioxino(2,3-c)pyridin-7-ylmethyl)(1-(2-(7-(1H-imidazol-1-yl)-2-oxo-1,5-naphthyridin-1(2H)-yl)ethyl)piperidin-4-yl)carbamate

Sources & evidence

ORD record
ord-c308e798815e41c08fd25eab229e6a5c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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