Hydrochloric Acid → 1-(4-Benzylpiperazin-1-yl)-2-[(4-pentylphenyl)methylamino]-3-phenylpropan-1-one

HRID 201326Notes

Reaction equation

HRID 201326 reaction equation
[BH4-:72].[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[CH:9]([C:10](=[O:11])[N:12]1[CH2:13][CH2:14][N:15]([CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH2:16][CH2:17]1)[N:25]([C:26](=[O:27])[CH:28]=[CH:29][c:30]1[cH:31][cH:32][c:33]([C:34]([F:35])([F:36])[F:37])[cH:38][cH:39]1)[CH2:40][c:41]1[cH:42][cH:43][c:44]([CH2:47][CH2:48][CH2:49][CH2:50][CH3:51])[cH:45][cH:46]1.[CH2:59]([c:60]1[cH:61][cH:62][c:63]([CH:64]=[O:65])[cH:66][cH:67]1)[CH2:68][CH2:69][CH2:70][CH3:71].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:74][OH:75].[ClH:1].[Na+:73].[OH2:76]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[CH:9]([C:10](=[O:11])[N:12]1[CH2:13][CH2:14][N:15]([CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH2:16][CH2:17]1)[NH:25][CH2:40][c:41]1[cH:42][cH:43][c:44]([CH2:47][CH2:48][CH2:49][CH2:50][CH3:51])[cH:45][cH:46]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 8471TriethylamineHCID 23290Benzaldehyde, 4-pentyl-HCID 28123BorohydrideHCID 73227327N-[1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

Product 1

HCID 670050511-(4-Benzylpiperazin-1-yl)-2-[(4-pentylphenyl)methylamino]-3-phenylpropan-1-one

Sources & evidence

ORD record
ord-defbb937f06a413db96ebc9a9c5f9504
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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