Hydrochloric Acid → 4-fluoro-N-((1RS,2SR)-2-hydroxy-2-(1-naphthalenyl)-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-1-naphthalenecarboxamide

HRID 2151619Notes

Reaction equation

HRID 2151619 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:15][C:16]([C:17]([Cl:18])=[O:19])=[O:20].[ClH:21].[F:1][c:2]1[cH:3][cH:4][c:5]([C:12](=[O:13])[OH:14])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[Na+:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH2:63].[OH:22][CH:23]([CH:24]([CH2:25][c:26]1[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]1)[NH2:36])[c:37]1[cH:38][cH:39][cH:40][c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]12>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:12](=[O:14])[NH:36][CH:24]([CH:23]([OH:22])[c:37]2[cH:38][cH:39][cH:40][c:41]3[cH:42][cH:43][cH:44][cH:45][c:46]23)[CH2:25][c:26]2[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 684484-Fluoro-1-naphthoic acidHCID 695539212-Amino-1-naphthalen-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-ol

Product 1

HCID 222614984-fluoro-N-((1RS,2SR)-2-hydroxy-2-(1-naphthalenyl)-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-1-naphthalenecarboxamide

Sources & evidence

ORD record
ord-b17757aa626647598227255e462c4510
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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