Acetate → 2-[2-(Aminomethyl)-4-chlorophenoxy]-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone

HRID 1128080

Reaction equation

HRID 1128080 reaction equation
[C:35](#[N:36])[BH3-:37].[CH3:31][C:32](=[O:33])[O-:34].[CH3:39][OH:40].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:10][CH2:11][C:12](=[O:13])[N:14]2[CH:15]([CH3:29])[CH2:16][N:17]([CH2:21][c:22]3[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]3)[CH:18]([CH3:20])[CH2:19]2)[c:6]([CH:7]=[O:8])[cH:9]1.[NH4+:30].[Na+:38]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:10][CH2:11][C:12](=[O:13])[N:14]2[CH:15]([CH3:29])[CH2:16][N:17]([CH2:21][c:22]3[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]3)[CH:18]([CH3:20])[CH2:19]2)[c:6]([CH2:7][NH2:36])[cH:9]1

Participants

7

Reactant 6

HCID 175AcetateHCID 223AmmoniumHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 219733285-Chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]benzaldehyde

Product 1

HCID 219734092-[2-(Aminomethyl)-4-chlorophenoxy]-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone

Sources & evidence

ORD record
ord-d88b044f486f4fdb92c190f260c38b54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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