Sodium ion → [4-Fluoro-2-(1-methyl-6-oxo-5-{4H,6H,7H-pyrazolo[3,2-c][1,4]oxazin-2-ylamino]pyridin-3-yl)-6-{6-oxo-8-thia-5-azatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-yl}phenyl}methyl Acetate

HRID 1122109Notes

Reaction equation

HRID 1122109 reaction equation
[C:28]([CH3:29])(=[O:30])[O:31][CH2:32][c:33]1[c:34]([Br:54])[cH:35][c:36]([F:53])[cH:37][c:38]1[N:39]1[CH2:40][CH2:41][c:42]2[c:43]3[c:48]([s:49][c:50]2[C:51]1=[O:52])[CH2:47][CH2:46][CH2:45][CH2:44]3.[C:55](=[O:56])([O-:57])[O-:58].[CH3:61][O:62][CH2:63][CH2:64][O:65][CH3:66].[Na+:59].[Na+:60].[n:1]1[c:2]([NH:10][c:11]2[c:12](=[O:27])[n:13]([CH3:26])[cH:14][c:15]([B:17]3[O:18][C:19]([CH3:20])([CH3:21])[C:22]([CH3:23])([CH3:24])[O:25]3)[cH:16]2)[cH:3][c:4]2[n:9]1[CH2:8][CH2:7][O:6][CH2:5]2>>[n:1]1[c:2]([NH:10][c:11]2[c:12](=[O:27])[n:13]([CH3:26])[cH:14][c:15](-[c:34]3[c:33]([CH2:32][O:31][C:28]([CH3:29])=[O:30])[c:38]([N:39]4[CH2:40][CH2:41][c:42]5[c:43]6[c:48]([s:49][c:50]5[C:51]4=[O:52])[CH2:47][CH2:46][CH2:45][CH2:44]6)[cH:37][c:36]([F:53])[cH:35]3)[cH:16]2)[cH:3][c:4]2[n:9]1[CH2:8][CH2:7][O:6][CH2:5]2

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 580437562-Bromo-4-fluoro-6-(1-oxo-3,4,5,6,7,8-hexahydrobenzothieno[2,3-c]pyridin-2(1H)-yl)benzyl AcetateHCID 580440283-(6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one

Product 1

HCID 58044275[4-Fluoro-2-(1-methyl-6-oxo-5-{4H,6H,7H-pyrazolo[3,2-c][1,4]oxazin-2-ylamino]pyridin-3-yl)-6-{6-oxo-8-thia-5-azatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-yl}phenyl}methyl Acetate

Sources & evidence

ORD record
ord-eea0935608d04e3a8eff8d93866ec697
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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