Dimethylformamide → [(1SR,2RS)-2-(2-Methoxy-6-methylsulfanyl-4-trifluoromethyl-benzoylamino)-cyclopentyl]-carbamic acid tert-butyl ester

HRID 1115046Notes

Reaction equation

HRID 1115046 reaction equation
[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[OH:7])[c:8]([S:16][CH3:17])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1.[CH3:51][C:52]([CH3:53])([CH3:54])[O:55][C:56]([NH:57][CH:58]1[CH:59]([NH2:63])[CH2:60][CH2:61][CH2:62]1)=[O:64].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH:18]([N:19]([CH2:20][CH3:21])[CH:22]([CH3:23])[CH3:24])([CH3:25])[CH3:26].[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:7])[NH:63][CH:59]2[CH:58]([NH:57][C:56]([O:55][C:52]([CH3:51])([CH3:53])[CH3:54])=[O:64])[CH2:62][CH2:61][CH2:60]2)[c:8]([S:16][CH3:17])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 22667934tert-Butyl (2-aminocyclopentyl)carbamateHCID 591979212-Methoxy-6-methylsulfanyl-4-trifluoromethyl-benzoic acid

Product 1

HCID 66682567[(1SR,2RS)-2-(2-Methoxy-6-methylsulfanyl-4-trifluoromethyl-benzoylamino)-cyclopentyl]-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-99d7dcf9bea94578beee5dc610e6a531
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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