Acetate → 1-isobutyl-2-amino-6-(2-(tert-butyl)-4-(4-fluorophenyl)oxazol-5-yl)-1H-benzimidazole

HRID 1120857Notes

Reaction equation

HRID 1120857 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[o:6][c:7]([Br:17])[c:8](-[c:10]2[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]2)[n:9]1.[C:33](=[O:34])([O-:35])[O-:36].[CH2:18]([CH:19]([CH3:20])[CH3:21])[n:22]1[c:23]([NH2:32])[n:24][c:25]2[c:26]1[cH:27][c:28]([Br:31])[cH:29][cH:30]2.[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cs+:37].[Cs+:38].[O-:64][C:65]([CH3:66])=[O:67].[O-:68][C:69]([CH3:70])=[O:71].[Pd+2:63].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[o:6][c:7](-[c:28]2[cH:27][c:26]3[n:22]([CH2:18][CH:19]([CH3:20])[CH3:21])[c:23]([NH2:32])[n:24][c:25]3[cH:30][cH:29]2)[c:8](-[c:10]2[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]2)[n:9]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 6228DimethylformamideHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 653467761-Isobutyl-2-amino-6-bromobenzimidazoleHCID 668691622-(Tert-butyl)-4-(4-fluorophenyl)-5-bromooxazole

Product 1

HCID 668691451-isobutyl-2-amino-6-(2-(tert-butyl)-4-(4-fluorophenyl)oxazol-5-yl)-1H-benzimidazole

Sources & evidence

ORD record
ord-753b808026b54f55a02d964905ea965e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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