Bicarbonate Ion → 4-chloro-N-[(4-chloro-3-{[3-cyano-5-(hydroxymethyl)phenyl]oxy}-2-fluorophenyl)methyl]-2-methyl-1H-imidazole-5-carboxamide

HRID 1127006Notes

Reaction equation

HRID 1127006 reaction equation
[BH4-:31].[C:33](=[O:34])([OH:35])[O-:36].[CH3:38][OH:39].[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[Cl:1][c:2]1[n:3][c:4]([CH3:30])[nH:5][c:6]1[C:7](=[O:8])[NH:9][CH2:10][c:11]1[c:12]([F:29])[c:13]([O:18][c:19]2[cH:20][c:21]([C:27]#[N:28])[cH:22][c:23]([CH:25]=[O:26])[cH:24]2)[c:14]([Cl:17])[cH:15][cH:16]1.[Na+:32].[Na+:37]>>[Cl:1][c:2]1[n:3][c:4]([CH3:30])[nH:5][c:6]1[C:7](=[O:8])[NH:9][CH2:10][c:11]1[c:12]([F:29])[c:13]([O:18][c:19]2[cH:20][c:21]([C:27]#[N:28])[cH:22][c:23]([CH2:25][OH:26])[cH:24]2)[c:14]([Cl:17])[cH:15][cH:16]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 178432877HCID 178432877, compound

Product 1

HCID 1784328784-chloro-N-[(4-chloro-3-{[3-cyano-5-(hydroxymethyl)phenyl]oxy}-2-fluorophenyl)methyl]-2-methyl-1H-imidazole-5-carboxamide

Sources & evidence

ORD record
ord-197916e411af49288cb752d392eaf1b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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