Sodium ion → 4-(4-{4-[(2-Phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-piperidin-1-yl)-benzoic acid tert-butyl ester

HRID 1545360Notes

Reaction equation

HRID 1545360 reaction equation
[C:31]([CH3:32])([CH3:33])([CH3:34])[O:35][C:36]([c:37]1[cH:38][cH:39][c:40]([Br:43])[cH:41][cH:42]1)=[O:44].[CH3:45][C:46]([CH3:47])([O-:48])[CH3:49].[CH:51]([c:52]1[cH:53][c:54]([CH:55]([CH3:56])[CH3:57])[cH:58][c:59]([CH:60]([CH3:61])[CH3:62])[c:63]1-[c:64]1[cH:65][cH:66][cH:67][cH:68][c:69]1[P:70]([CH:71]1[CH2:72][CH2:73][CH2:74][CH2:75][CH2:76]1)[CH:77]1[CH2:78][CH2:79][CH2:80][CH2:81][CH2:82]1)([CH3:83])[CH3:84].[NH:1]1[CH2:2][CH2:3][CH:4]([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)[CH2:5][CH2:6]1.[Na+:50].[O:85]1[CH2:86][CH2:87][O:88][CH2:89][CH2:90]1>>[N:1]1([c:40]2[cH:39][cH:38][c:37]([C:36]([O:35][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:44])[cH:42][cH:41]2)[CH2:2][CH2:3][CH:4]([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)[CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 312751,4-DioxaneHCID 45749132-Methylpropan-2-olateHCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 11334366Tert-butyl 4-bromobenzoateHCID 529371572-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (4-piperidin-4-yl-phenyl)-amide

Product 1

HCID 674271094-(4-{4-[(2-Phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-piperidin-1-yl)-benzoic acid tert-butyl ester

Sources & evidence

ORD record
ord-3fa80022d55a48b3973dbd9d770e9228
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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