Potassium Cation → [12-[(2,4-Difluorophenyl)methylcarbamoyl]-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-dien-10-yl]oxymethyl 2-methoxyethyl carbonate

HRID 1201842Notes

Reaction equation

HRID 1201842 reaction equation
[C:1]([O:2][CH2:3][I:4])([O:5][CH2:6][CH2:7][O:8][CH3:9])=[O:10].[C:41](=[O:42])([O-:43])[O-:44].[CH2:52]([N+:53]([CH2:54][CH2:55][CH2:56][CH3:57])([CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH2:64][CH3:65])[CH2:66][CH2:67][CH3:68].[F:12][c:13]1[c:14]([CH2:20][NH:21][C:22](=[O:23])[c:24]2[c:25](=[O:40])[c:26]([OH:39])[c:27]3[n:28]([cH:38]2)[CH2:29][CH:30]2[N:31]([C:32]3=[O:33])[CH:34]([CH3:37])[CH2:35][O:36]2)[cH:15][cH:16][c:17]([F:19])[cH:18]1.[K+:45].[K+:46].[Na:11].[S:47]([O-:48])([OH:49])(=[O:50])=[O:51]>>[C:1]([O:2][CH2:3][O:39][c:26]1[c:25](=[O:40])[c:24]([C:22]([NH:21][CH2:20][c:14]2[c:13]([F:12])[cH:18][c:17]([F:19])[cH:16][cH:15]2)=[O:23])[cH:38][n:28]2[c:27]1[C:32](=[O:33])[N:31]1[CH:30]([CH2:29]2)[O:36][CH2:35][CH:34]1[CH3:37])([O:5][CH2:6][CH2:7][O:8][CH3:9])=[O:10]

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 61778Sulfate, hydrogenHCID 5360545SodiumHCID 21036325Iodomethyl 2-(methyloxy)ethyl carbonateHCID 66799609Oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide, N-[(2,4-difluorophenyl)methyl]-2,3,5,7,11,11a-hexahydro-6-hydroxy-3-methyl-5,7-dioxo-, (3S,11aR)-;Oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide, N-[(2,4-difluorophenyl)methyl]-2,3,5,7,11,11a-hexahydro-6-hydroxy-3-methyl-5,7-dioxo-, (3S,11aR)-

Product 1

HCID 75057907[12-[(2,4-Difluorophenyl)methylcarbamoyl]-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-dien-10-yl]oxymethyl 2-methoxyethyl carbonate

Sources & evidence

ORD record
ord-69ab4a83e62e4b1ea1e7ca3b08d4655c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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