Acetone → HCID 57917172, compound

HRID 1231158Notes

Reaction equation

HRID 1231158 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:37])[c:5]2[c:6]([n:7][c:8](-[c:10]3[cH:11][cH:12][c:13]([NH:16][C:17]([CH2:18][N:19]4[CH2:20][CH2:21][N:22]([c:25]5[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]5)[CH2:23][CH2:24]4)=[O:35])[cH:14][cH:15]3)[o:9]2)[cH:36]1.[C:43]([Li:44])([CH3:45])([CH3:46])[CH3:47].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:48][C:49](=[O:50])[CH3:51].[CH:39]([Mg+:40])([CH3:41])[CH3:42].[Cl-:38]>>[cH:2]1[cH:3][c:4]([CH3:37])[c:5]2[c:6]([n:7][c:8](-[c:10]3[cH:11][cH:12][c:13]([NH:16][C:17]([CH2:18][N:19]4[CH2:20][CH2:21][N:22]([c:25]5[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]5)[CH2:23][CH2:24]4)=[O:35])[cH:14][cH:15]3)[o:9]2)[cH:36]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 312ChlorideHCID 8028TetrahydrofuranHCID 57917093N-[4-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamideHCID 178418306HCID 178418306, compoundHCID 178461726HCID 178461726, compound

Product 1

HCID 57917172HCID 57917172, compound

Sources & evidence

ORD record
ord-44a3706e634c490a979fc2724c79ba2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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