Sodium ion → 1-Isopropylsulfonyl-2-amino-6-(1-(benzyl)-5-(3,5-difluorophenyl)-2-(2,4-difluorophenyl)-imidazol-4-yl)-benzimidazole

HRID 179599Notes

Reaction equation

HRID 179599 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](-[c:22]2[c:23]([F:29])[cH:24][c:25]([F:28])[cH:26][cH:27]2)[n:10][c:11]([Br:21])[c:12]1-[c:13]1[cH:14][c:15]([F:20])[cH:16][c:17]([F:19])[cH:18]1.[CH3:55][O:56][CH2:57][CH2:58][O:59][CH3:60].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[CH:30]([CH3:31])([CH3:32])[S:33](=[O:34])(=[O:35])[n:36]1[c:37]([NH2:48])[n:38][c:39]2[c:40]1[cH:41][c:42]([B:45]([OH:46])[OH:47])[cH:43][cH:44]2.[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](-[c:22]2[c:23]([F:29])[cH:24][c:25]([F:28])[cH:26][cH:27]2)[n:10][c:11](-[c:42]2[cH:41][c:40]3[n:36]([S:33]([CH:30]([CH3:31])[CH3:32])(=[O:34])=[O:35])[c:37]([NH2:48])[n:38][c:39]3[cH:44][cH:43]2)[c:12]1-[c:13]1[cH:14][c:15]([F:20])[cH:16][c:17]([F:19])[cH:18]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 179816431-Benzyl-4-bromo-5-(3,5-difluoro-phenyl)-2-(2,4-difluoro-phenyl)-imidazoleHCID 17981723HCID 17981723, compound

Product 1

HCID 179817671-Isopropylsulfonyl-2-amino-6-(1-(benzyl)-5-(3,5-difluorophenyl)-2-(2,4-difluorophenyl)-imidazol-4-yl)-benzimidazole

Sources & evidence

ORD record
ord-cf82bef7c5ae4796a4811f29f0fa7aa9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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