Hydrochloric Acid → Hydrochloric Acid

HRID 2322785Notes

Reaction equation

HRID 2322785 reaction equation
[CH3:1][CH:2]([CH2:3][CH:4]([C:5](=[O:6])[OH:7])[N:8]([CH:9]1[CH2:10][CH2:11][O:12][CH2:13][CH2:14]1)[CH3:15])[CH3:16].[CH3:75][CH2:76][O:77][CH2:78][CH3:79].[CH:17]([N:18]([CH2:19][CH3:20])[CH:21]([CH3:22])[CH3:23])([CH3:24])[CH3:25].[ClH:50].[F:51][c:52]1[cH:53][cH:54][c:55]([CH:58]([CH2:59][CH2:60][CH2:61][NH2:62])[c:63]2[cH:64][cH:65][c:66]([F:69])[cH:67][cH:68]2)[cH:56][cH:57]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[CH3:1][CH:2]([CH2:3][CH:4]([C:5](=[O:7])[NH:62][CH2:61][CH2:60][CH2:59][CH:58]([c:55]1[cH:54][cH:53][c:52]([F:51])[cH:57][cH:56]1)[c:63]1[cH:64][cH:65][c:66]([F:69])[cH:67][cH:68]1)[N:8]([CH:9]1[CH2:10][CH2:11][O:12][CH2:13][CH2:14]1)[CH3:15])[CH3:16].[ClH:50]

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 13530069HCID 13530069, compoundHCID 18418724HCID 18418724, compound

Product 2

HCID 313Hydrochloric AcidHCID 23388428N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-[methyl(oxan-4-yl)amino]pentanamide

Sources & evidence

ORD record
ord-23472003b4c94961ab5b612a61d2c4cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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