Hydrochloric Acid → (3-Bromo-3'-chloro-5-dodecylcarbamoyl-4'-fluoro-biphenyl-2-yloxy)acetic acid

HRID 1151389Notes

Reaction equation

HRID 1151389 reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[NH:13][C:14]([c:15]1[cH:16][c:17]([Br:33])[c:18]([O:29][CH2:30][CH2:31][OH:32])[c:19](-[c:21]2[cH:22][c:23]([Cl:28])[c:24]([F:27])[cH:25][cH:26]2)[cH:20]1)=[O:34].[CH3:35][N+:36]1([O-:37])[CH2:38][CH2:40][O:39][CH2:41][CH2:42]1.[CH3:60][CH2:61][CH2:62][N+:63]([CH2:64][CH2:65][CH3:66])([CH2:67][CH2:68][CH3:69])[CH2:70][CH2:71][CH3:72].[CH3:79][C:80]#[N:81].[Cl:57][CH2:58][Cl:59].[ClH:56].[Na+:50].[Na+:55].[O:73]=[Ru:74](=[O:75])([O-:76])=[O:77].[OH2:43].[OH2:78].[S:44]([S:45]([O-:46])=[O:47])([O-:48])=[O:49].[S:51](=[O:52])([OH:53])[OH:54]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[NH:13][C:14]([c:15]1[cH:16][c:17]([Br:33])[c:18]([O:29][CH2:30][C:31](=[O:32])[OH:39])[c:19](-[c:21]2[cH:22][c:23]([Cl:28])[c:24]([F:27])[cH:25][cH:26]2)[cH:20]1)=[O:34]

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 962Water2×HCID 1086DithioniteHCID 1100Sulfurous AcidHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 9559TetrapropylammoniumHCID 82029Methyl morpholine oxideHCID 22237647N-Dodecyl-3-bromo-4-(2-hydroxyethoxy)-5-(3-chloro-4-fluorophenyl)benzamideHCID 178527104HCID 178527104, compound

Product 1

HCID 22237422(3-Bromo-3'-chloro-5-dodecylcarbamoyl-4'-fluoro-biphenyl-2-yloxy)acetic acid

Sources & evidence

ORD record
ord-4130b4400ffa4708a4b18732d31e629e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…