Potassium Cation → 4-[5-Cyano-7-(1-fluoro-1-methylethyl)-1,3-benzoxazol-2-yl]-N-({1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}methyl)benzamide

HRID 111627Notes

Reaction equation

HRID 111627 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:22]([CH3:23])([CH3:24])[F:25])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20]3)[o:10]2)[cH:21]1.[CH3:26][Si:27]([CH3:28])([CH3:29])[O-:30].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH:56]([N:57]([CH:58]([CH3:59])[CH3:60])[CH2:61][CH3:62])([CH3:63])[CH3:64].[Cl:32][C:33]([C:34]([Cl:35])=[O:36])=[O:37].[Cl:75][CH2:76][Cl:77].[F:38][C:39]([c:40]1[cH:41][cH:42][c:43]([N:46]2[CH2:47][CH2:48][CH:49]([CH2:52][NH2:53])[CH2:50][CH2:51]2)[n:44][cH:45]1)([F:54])[F:55].[K+:31].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:22]([CH3:23])([CH3:24])[F:25])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([C:15](=[O:16])[NH:53][CH2:52][CH:49]4[CH2:48][CH2:47][N:46]([c:43]5[cH:42][cH:41][c:40]([C:39]([F:38])([F:54])[F:55])[cH:45][n:44]5)[CH2:51][CH2:50]4)[cH:19][cH:20]3)[o:10]2)[cH:21]1

Participants

10

Reactant 9

HCID 813Potassium CationHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 65578Oxalyl chlorideHCID 81531DiisopropylethylamineHCID 3588738[SIMe3O]-HCID 595860421-{1-[5-(Trifluoromethyl)pyridin-2-yl]piperidin-4-yl}methanamineHCID 68743634Methyl 4-[5-cyano-7-(1-fluoro-1-methylethyl)-1,3-benzoxazol-2-yl]benzoate

Product 1

HCID 251724914-[5-Cyano-7-(1-fluoro-1-methylethyl)-1,3-benzoxazol-2-yl]-N-({1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}methyl)benzamide

Sources & evidence

ORD record
ord-38c51dfd51b842a68f2f89b57450cb5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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