Hexafluorophosphate → [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-(3-imidazol-1-ylpropylamino)-2-oxoethyl] carbonate

HRID 680842Notes

Reaction equation

HRID 680842 reaction equation
[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[F:1][c:2]1[c:3]([CH2:9][NH:10][C:11](=[O:12])[c:13]2[c:14](=[O:38])[c:15]([O:28][CH2:29][O:30][C:31](=[O:32])[O:33][CH2:34][C:35](=[O:36])[OH:37])[c:16]3[n:17]([cH:27]2)[CH2:18][CH:19]2[N:20]([C:21]3=[O:22])[CH:23]([CH3:26])[CH2:24][O:25]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[P-:57]([F:58])([F:59])([F:60])([F:61])([F:62])[F:63].[n:39]1([CH2:44][CH2:45][CH2:46][NH2:47])[cH:40][n:41][cH:42][cH:43]1.[n:64]1([O:65][C:66]([N:67]([CH3:68])[CH3:69])=[N+:70]([CH3:71])[CH3:72])[c:73]2[n:74][cH:75][cH:76][cH:77][c:78]2[n:79][n:80]1>>[F:1][c:2]1[c:3]([CH2:9][NH:10][C:11](=[O:12])[c:13]2[c:14](=[O:38])[c:15]([O:28][CH2:29][O:30][C:31](=[O:32])[O:33][CH2:34][C:35](=[O:36])[NH:47][CH2:46][CH2:45][CH2:44][n:39]3[cH:40][n:41][cH:42][cH:43]3)[c:16]3[n:17]([cH:27]2)[CH2:18][CH:19]2[N:20]([C:21]3=[O:22])[CH:23]([CH3:26])[CH2:24][O:25]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

6

Reactant 5

HCID 9886HexafluorophosphateHCID 787361H-Imidazole-1-propanamineHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 750579632-[[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]oxymethoxycarbonyloxy]acetic acid

Product 1

HCID 75058006[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-(3-imidazol-1-ylpropylamino)-2-oxoethyl] carbonate

Sources & evidence

ORD record
ord-3442207df92247978f6d7b075ba2368b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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