Acetate → 4-Nitro-7-cyclopropyl-5-fluoro-1-isobutyl-2-(2-diethylphosphono-5-furanyl)benzimidazole

HRID 188767

Reaction equation

HRID 188767 reaction equation
[CH3:33][N:34]([C:35]([NH:36][N+:37](=[O:38])[O-:39])=[NH:40])[N:41]=[O:42].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([F:32])[cH:6][c:7]([CH:30]=[CH2:31])[c:8]2[n:9]([CH2:26][CH:27]([CH3:28])[CH3:29])[c:10](-[c:13]3[cH:14][cH:15][c:16]([P:18](=[O:19])([O:20][CH2:21][CH3:22])[O:23][CH2:24][CH3:25])[o:17]3)[n:11][c:12]12.[O-:44][C:45]([CH3:46])=[O:47].[O-:48][C:49]([CH3:50])=[O:51].[Pd+2:43]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([F:32])[cH:6][c:7]([CH:30]2[CH2:31][CH2:33]2)[c:8]2[n:9]([CH2:26][CH:27]([CH3:28])[CH3:29])[c:10](-[c:13]3[cH:14][cH:15][c:16]([P:18](=[O:19])([O:20][CH2:21][CH3:22])[O:23][CH2:24][CH3:25])[o:17]3)[n:11][c:12]12

Participants

5

Reactant 4

HCID 175Acetate2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 544096674-Nitro-7-vinyl-5-fluoro-1-isobutyl-2-(2-diethylphosphono-5-furanyl)benzimidazoleHCID 135436526N-Methyl-N'-nitro-N-nitrosoguanidine

Product 1

HCID 539815924-Nitro-7-cyclopropyl-5-fluoro-1-isobutyl-2-(2-diethylphosphono-5-furanyl)benzimidazole

Sources & evidence

ORD record
ord-a63ee509469940b899385eb8923548d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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