Potassium Cation → 1-[(5-Amino-2,3-dihydro-2,4,6,7-tetramethylbenzofuran-2-yl)-methyl]-N-[bis(4-fluorophenyl)methyl]-4-piperidinamine

HRID 169792Notes

Reaction equation

HRID 169792 reaction equation
[Br:1][CH2:2][C:3]1([CH3:16])[O:4][c:5]2[c:6]([c:8]([CH3:15])[c:9]([NH2:14])[c:10]([CH3:13])[c:11]2[CH3:12])[CH2:7]1.[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][N:46]([CH3:47])[C:48](=[O:49])[CH3:50].[F:17][c:18]1[cH:19][cH:20][c:21]([CH:24]([NH:25][CH:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[c:32]2[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]2)[cH:22][cH:23]1.[K+:43].[K+:44].[OH2:51]>>[CH2:2]([C:3]1([CH3:16])[O:4][c:5]2[c:6]([c:8]([CH3:15])[c:9]([NH2:14])[c:10]([CH3:13])[c:11]2[CH3:12])[CH2:7]1)[N:29]1[CH2:28][CH2:27][CH:26]([NH:25][CH:24]([c:21]2[cH:20][cH:19][c:18]([F:17])[cH:23][cH:22]2)[c:32]2[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]2)[CH2:31][CH2:30]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 108505902-Bromomethyl-2,3-dihydro-2,4,6,7-tetramethyl-5-benzofuranamineHCID 22111003N-[Bis(4-fluorophenyl)methyl]piperidin-4-amine

Product 1

HCID 221111031-[(5-Amino-2,3-dihydro-2,4,6,7-tetramethylbenzofuran-2-yl)-methyl]-N-[bis(4-fluorophenyl)methyl]-4-piperidinamine

Sources & evidence

ORD record
ord-dc9b003728294f8b916f01335bdf7915
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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