Hydrochloric Acid → Hydrochloric Acid

HRID 296028Notes

Reaction equation

HRID 296028 reaction equation
[CH3:12][N:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH3:1][N:2]([CH:3]([C:4](=[O:5])[OH:6])[CH2:7][CH:8]([CH3:9])[CH3:10])[CH3:11].[CH3:68][OH:69].[ClH:19].[F:20][c:21]1[cH:22][cH:23][c:24]([CH:27]([CH2:28][CH2:29][CH2:30][NH2:31])[c:32]2[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]2)[cH:25][cH:26]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[CH3:1][N:2]([CH:3]([C:4](=[O:6])[NH:31][CH2:30][CH2:29][CH2:28][CH:27]([c:24]1[cH:23][cH:22][c:21]([F:20])[cH:26][cH:25]1)[c:32]1[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]1)[CH2:7][CH:8]([CH3:9])[CH3:10])[CH3:11].[ClH:19]

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 575134HCID 575134, compoundHCID 13530069HCID 13530069, compound

Product 2

HCID 313Hydrochloric AcidHCID 9844066N-[4,4-bis(4-fluorophenyl)butyl]-2-(dimethylamino)-4-methylpentanamide

Sources & evidence

ORD record
ord-57f4176c549849d3822fc89561b28504
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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