Potassium Cation → [13-[(2,4-Difluorophenyl)methylcarbamoyl]-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl 2-methoxyethyl carbonate

HRID 196501Notes

Reaction equation

HRID 196501 reaction equation
[C:1]([O:2][CH2:3][I:4])([O:5][CH2:6][CH2:7][O:8][CH3:9])=[O:10].[C:42](=[O:43])([O-:44])[O-:45].[CH2:53]([N+:54]([CH2:55][CH2:56][CH2:57][CH3:58])([CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH3:69].[F:12][c:13]1[c:14]([CH2:20][NH:21][C:22](=[O:23])[c:24]2[c:25](=[O:41])[c:26]([OH:40])[c:27]3[n:28]([cH:39]2)[CH2:29][CH:30]2[O:31][CH2:32][CH2:33][CH:34]([CH3:38])[N:35]2[C:36]3=[O:37])[cH:15][cH:16][c:17]([F:19])[cH:18]1.[K+:46].[K+:47].[Na:11].[S:48]([O-:49])([OH:50])(=[O:51])=[O:52]>>[C:1]([O:2][CH2:3][O:40][c:26]1[c:25](=[O:41])[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:39][n:28]2[c:27]1[C:36](=[O:37])[N:35]1[CH:30]([CH2:29]2)[O:31][CH2:32][CH2:33][CH:34]1[CH3:38])([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 57414794N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide

Product 1

HCID 75057846[13-[(2,4-Difluorophenyl)methylcarbamoyl]-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl 2-methoxyethyl carbonate

Sources & evidence

ORD record
ord-9983098f50904fd2b0cf2de0f2f88e07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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