Water → Methyl 3-amino-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]benzoate

HRID 1226874Notes

Reaction equation

HRID 1226874 reaction equation
[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([N+:31]([O-:32])=[O:33])[c:7]([N:10]2[CH2:11][CH2:12][N:13]([CH:16]([c:17]3[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]3)[c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH2:14][CH2:15]2)[cH:8][cH:9]1)=[O:34].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:35].[OH2:36].[Sn:37]([Cl:38])[Cl:39]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([NH2:31])[c:7]([N:10]2[CH2:11][CH2:12][N:13]([CH:16]([c:17]3[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]3)[c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH2:14][CH2:15]2)[cH:8][cH:9]1)=[O:34]

Participants

6

Reactant 5

HCID 962Water2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 24479Stannous ChlorideHCID 589357284-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperazin-1-yl}-3-nitro-benzoic acid methyl ester

Product 1

HCID 58935731Methyl 3-amino-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]benzoate

Sources & evidence

ORD record
ord-fd9210b19c6f471891b82630070d054f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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