Dimethylformamide → N-(1-cyanocyclopropyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide

HRID 1575578Notes

Reaction equation

HRID 1575578 reaction equation
[C:1](#[N:2])[C:3]1([NH:6][C:7](=[O:8])[CH:9]2[NH:10][CH2:11][CH:12]([S:14](=[O:15])(=[O:16])[c:17]3[c:18]([C:29]([F:30])([F:31])[F:32])[cH:19][c:20]([O:23][CH2:24][C:25]([F:26])([F:27])[F:28])[cH:21][cH:22]3)[CH2:13]2)[CH2:4][CH2:5]1.[CH:67]([N:68]([CH2:69][CH3:70])[CH:71]([CH3:72])[CH3:73])([CH3:74])[CH3:75].[F:33][C:34]([C:35]1([C:38](=[O:39])[OH:40])[CH2:36][CH2:37]1)([F:41])[F:42].[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[n:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[C:1](#[N:2])[C:3]1([NH:6][C:7](=[O:8])[CH:9]2[N:10]([C:38]([C:35]3([C:34]([F:33])([F:41])[F:42])[CH2:36][CH2:37]3)=[O:39])[CH2:11][CH:12]([S:14](=[O:15])(=[O:16])[c:17]3[c:18]([C:29]([F:30])([F:31])[F:32])[cH:19][c:20]([O:23][CH2:24][C:25]([F:26])([F:27])[F:28])[cH:21][cH:22]3)[CH2:13]2)[CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27783061-(Trifluoromethyl)cyclopropane-1-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178510646HCID 178510646, compound

Product 1

HCID 72322039N-(1-cyanocyclopropyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide

Sources & evidence

ORD record
ord-d7c70f0367cf4967800a180cecfa9ae0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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