Hydrochloric Acid → N-((1RS,2SR)-2-(4-fluorophenyl)-2-hydroxy-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-1-anthracenecarboxamide

HRID 99595Notes

Reaction equation

HRID 99595 reaction equation
[C:47](=[O:48])([O-:49])[OH:50].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[Cl:18][C:19]([C:20]([Cl:21])=[O:22])=[O:23].[ClH:24].[F:25][c:26]1[cH:27][cH:28][c:29]([CH:32]([CH:33]([CH2:34][c:35]2[cH:36][cH:37][c:38]([C:41]([F:42])([F:43])[F:44])[cH:39][cH:40]2)[NH2:45])[OH:46])[cH:30][cH:31]1.[Na+:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH2:63].[c:1]1([C:15](=[O:16])[OH:17])[cH:2][cH:3][cH:4][c:5]2[cH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]3[cH:13][c:14]12>>[c:1]1([C:15](=[O:16])[NH:45][CH:33]([CH:32]([c:29]2[cH:28][cH:27][c:26]([F:25])[cH:31][cH:30]2)[OH:46])[CH2:34][c:35]2[cH:36][cH:37][c:38]([C:41]([F:42])([F:43])[F:44])[cH:39][cH:40]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]3[cH:13][c:14]12

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 1507891-Anthracenecarboxylic AcidHCID 22261479(1RS,2RS)-1-(4-fluorophenyl)-1-hydroxy-3-(4-(trifluoromethyl)phenyl)-2-propylamine

Product 1

HCID 22261463N-((1RS,2SR)-2-(4-fluorophenyl)-2-hydroxy-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-1-anthracenecarboxamide

Sources & evidence

ORD record
ord-ab5af52e59ad4fe09f7f47c552d72cda
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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