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

HRID 681135
Notes
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Reaction equation

HRID 681135 reaction equation
[CH2:38]([N:39]=[C:40]=[N:41][CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47])[CH3:48].[CH3:59][C:60]#[N:61].[ClH:37].[F:23][c:24]1[cH:25][cH:26][c:27]([C:34](=[O:35])[OH:36])[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]12.[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([C:11]([F:12])([F:13])[F:14])[cH:9][cH:10]1)[CH2:15][c:16]1[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]1.[OH2:62].[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([C:11]([F:12])([F:13])[F:14])[cH:9][cH:10]1)[CH2:15][c:16]1[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]1)[C:34]([c:27]1[cH:26][cH:25][c:24]([F:23])[c:33]2[c:28]1[cH:29][cH:30][cH:31][cH:32]2)=[O:35]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 684484-Fluoro-1-naphthoic acidHCID 757711-HydroxybenzotriazoleHCID 22261902
(1RS,2SR)-2-amino-3-(4-fluorophenyl)-1-(4-(trifluoromethyl)phenyl)-1-propanol

Product 1

HCID 222622464-fluoro-N-((1RS,2SR)-1-((4-fluorophenyl)methyl)-2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-1-naphthalenecarboxamide

Sources & evidence

ORD record
ord-d348fef6bc2c4f7fb7f528437fff575d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes