Bicarbonate Ion → 2-amino-4-bromo-N-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-1H-imidazole-5-carboxamide

HRID 192658Notes

Reaction equation

HRID 192658 reaction equation
[C:51](=[O:52])([OH:53])[O-:54].[CH3:8][C:9]([O:10][C:11]([N:15]([C:12]([O:13][C:14]([CH3:16])([CH3:17])[CH3:18])=[O:19])[c:23]1[nH:24][c:25]([C:29](=[O:30])[NH:31][CH2:32][c:33]2[c:34]([F:50])[c:35]([O:40][c:41]3[cH:42][c:43]([Cl:49])[cH:44][c:45]([C:47]#[N:48])[cH:46]3)[c:36]([Cl:39])[cH:37][cH:38]2)[c:26]([Br:28])[n:27]1)=[O:20])([CH3:21])[CH3:22].[Cl:56][CH2:57][Cl:58].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[Na+:55]>>[NH2:15][c:23]1[nH:24][c:25]([C:29](=[O:30])[NH:31][CH2:32][c:33]2[c:34]([F:50])[c:35]([O:40][c:41]3[cH:42][c:43]([Cl:49])[cH:44][c:45]([C:47]#[N:48])[cH:46]3)[c:36]([Cl:39])[cH:37][cH:38]2)[c:26]([Br:28])[n:27]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 178454340HCID 178454340, compound

Product 1

HCID 1785099482-amino-4-bromo-N-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-1H-imidazole-5-carboxamide

Sources & evidence

ORD record
ord-2eb53158ae1f43c28f24c2507792c5c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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