Hydrochloric Acid → N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-4-(methylsulfonylmethyl)piperidine-1-carboxamide

HRID 700805Notes

Reaction equation

HRID 700805 reaction equation
[CH2:65]([Cl:66])[Cl:67].[CH3:22][S:23](=[O:24])(=[O:25])[CH2:26][CH:27]1[CH2:28][CH2:29][N:30]([C:33]([O:35][C:34]([CH3:36])([CH3:37])[CH3:38])=[O:39])[CH2:31][CH2:32]1.[CH3:68][OH:69].[CH3:70][CH2:71][O:72][CH2:73][CH3:74].[CH:13]([N:14]([CH:15]([CH3:16])[CH3:17])[CH2:18][CH3:19])([CH3:20])[CH3:21].[Cl:1][C:2]([Cl:3])([O:4][C:5](=[O:6])[O:7][C:8]([Cl:9])([Cl:10])[Cl:11])[Cl:12].[ClH:64].[NH2:40][CH:41]([CH:42]([CH2:43][NH:44][CH2:45][c:46]1[cH:47][c:48]([CH2:52][CH3:53])[cH:49][cH:50][cH:51]1)[OH:54])[CH2:55][c:56]1[cH:57][c:58]([F:63])[cH:59][c:60]([F:62])[cH:61]1>>[CH3:22][S:23](=[O:24])(=[O:25])[CH2:26][CH:27]1[CH2:28][CH2:29][N:30]([C:33](=[O:35])[NH:40][CH:41]([CH:42]([CH2:43][NH:44][CH2:45][c:46]2[cH:47][c:48]([CH2:52][CH3:53])[cH:49][cH:50][cH:51]2)[OH:54])[CH2:55][c:56]2[cH:57][c:58]([F:63])[cH:59][c:60]([F:62])[cH:61]2)[CH2:31][CH2:32]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 94429TriphosgeneHCID 21087275Tert-butyl 4-((methylsulfonyl)methyl)piperidine-1-carboxylateHCID 218657313-Amino-4-(3,5-difluoro-phenyl)-1-(3-ethyl-benzylamino)-butan-2-ol

Product 1

HCID 21086883N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-4-(methylsulfonylmethyl)piperidine-1-carboxamide

Sources & evidence

ORD record
ord-041a7cd014b04ea487e7a7cf8cfc5994
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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