Potassium Cation → N-(3-chlorophenyl)-2-methyl-4-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutyl]-3-oxopiperazine-1-carboxamide

HRID 2135832Notes

Reaction equation

HRID 2135832 reaction equation
[CH2:51]1[O:52][CH2:53][C:54]12[CH2:55][CH2:56][NH:57][CH2:58][CH2:59]2.[CH3:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43].[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[Cl:1][c:2]1[cH:3][c:4]([NH:8][C:9](=[O:10])[N:11]2[CH:12]([CH3:24])[C:13](=[O:23])[N:14]([CH2:17][CH2:18][CH2:19][C:20](=[O:21])[OH:22])[CH2:15][CH2:16]2)[cH:5][cH:6][cH:7]1.[F:44][C:45]([F:46])([F:47])[C:48]([OH:49])=[O:50].[K+:72].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH:25][n:26]1[cH:27][cH:28][cH:29][cH:30][c:31]1=[O:32].[S:67](=[O:68])(=[O:69])([OH:70])[O-:71]>>[Cl:1][c:2]1[cH:3][c:4]([NH:8][C:9](=[O:10])[N:11]2[CH:12]([CH3:24])[C:13](=[O:23])[N:14]([CH2:17][CH2:18][CH2:19][C:20](=[O:22])[N:57]3[CH2:56][CH2:55][C:54]4([CH2:51][O:52][CH2:53]4)[CH2:59][CH2:58]3)[CH2:15][CH2:16]2)[cH:5][cH:6][cH:7]1

Participants

10

Reactant 9

HCID 813Potassium CationHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 61778Sulfate, hydrogenHCID 69975HydroxypyridinoneHCID 219552842-Oxa-7-azaspiro[3.5]nonaneHCID 670869194-[4-[(3-Chlorophenyl)carbamoyl]-3-methyl-2-oxopiperazin-1-yl]butanoic acid

Product 1

HCID 76709840N-(3-chlorophenyl)-2-methyl-4-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutyl]-3-oxopiperazine-1-carboxamide

Sources & evidence

ORD record
ord-3070a61c67f14e348d57fb9d68fd8e25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…