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

HRID 1574544Notes

Reaction equation

HRID 1574544 reaction equation
[CH2:39]([CH2:40][CH3:41])[N:42]=[C:43]=[O:44].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[ClH:1].[N:2]1([c:8]2[cH:9][cH:10][c:11]([NH:14][C:15](=[O:16])[c:17]3[n:18][c:19](-[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[o:20][c:21]3[C:22]([F:23])([F:24])[F:25])[cH:12][cH:13]2)[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1>>[N:2]1([c:8]2[cH:9][cH:10][c:11]([NH:14][C:15](=[O:16])[c:17]3[n:18][c:19](-[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[o:20][c:21]3[C:22]([F:23])([F:24])[F:25])[cH:12][cH:13]2)[CH2:3][CH2:4][N:5]([C:43]([NH:42][CH2:39][CH2:40][CH3:41])=[O:44])[CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 61033Propyl isocyanateHCID 529370602-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (4-piperazin-1-yl-phenyl)-amide

Product 1

HCID 576519714-{4-[(2-Phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-piperazine-1-carboxylic acid propylamide

Sources & evidence

ORD record
ord-cb19773a4e044ac19424def33b268258
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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