Hydrochloric Acid → 3-(4-{4-[(2-Phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-piperazine-1-carbonyl)-adamantane-1-carboxylic acid

HRID 2161935Notes

Reaction equation

HRID 2161935 reaction equation
[C:32]12([C:45](=[O:46])[OH:47])[CH2:33][C:34]3([C:42](=[O:43])[OH:44])[CH2:35][CH:36]([CH2:37][CH:38]([CH2:39]1)[CH2:40]3)[CH2:41]2.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:87][CH2:88][O:89][C:90](=[O:91])[CH3:92].[ClH:31].[N:1]1([c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]3[n:17][c:18](-[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[o:19][c:20]3[C:21]([F:22])([F:23])[F:24])[cH:11][cH:12]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[P-:55]([F:56])([F:57])([F:58])([F:59])([F:60])[F:61].[n:62]1([O:63][P+:64]([N:65]([CH3:66])[CH3:67])([N:68]([CH3:69])[CH3:70])[N:71]([CH3:72])[CH3:73])[c:74]2[cH:75][cH:76][cH:77][cH:78][c:79]2[n:80][n:81]1>>[N:1]1([c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]3[n:17][c:18](-[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[o:19][c:20]3[C:21]([F:22])([F:23])[F:24])[cH:11][cH:12]2)[CH2:2][CH2:3][N:4]([C:45]([C:32]23[CH2:33][C:34]4([C:42](=[O:43])[OH:44])[CH2:35][CH:36]([CH2:37][CH:38]([CH2:39]2)[CH2:40]4)[CH2:41]3)=[O:46])[CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 643391,3-Adamantanedicarboxylic acidHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 529370602-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (4-piperazin-1-yl-phenyl)-amide

Product 1

HCID 251225553-(4-{4-[(2-Phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-piperazine-1-carbonyl)-adamantane-1-carboxylic acid

Sources & evidence

ORD record
ord-855fa7da815b406cab1791c18e0358ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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