Acetonitrile → N-[3-methyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]-2-(trifluoromethyl)pyrrolidine-1-sulfonamide

HRID 1119841Notes

Reaction equation

HRID 1119841 reaction equation
[C:39]([NH:40][CH:41]1[CH2:42][CH:43]([C:44]([OH:45])=[O:46])[CH:47]([CH3:48])[CH2:49]1)(=[O:50])[CH3:51].[CH3:1][CH:2]1[CH2:3][CH:4]([NH:29][S:30](=[O:31])(=[O:32])[N:33]2[CH2:34][CH2:35][O:36][C:37]2=[O:38])[CH2:5][CH:6]1[c:7]1[n:8][cH:9][c:10]2[n:11]1[c:12]1[c:13]([n:14][cH:15]2)[n:16]([S:19](=[O:20])(=[O:21])[c:22]2[cH:23][cH:24][c:25]([CH3:26])[cH:27][cH:28]2)[cH:17][cH:18]1.[CH3:73][C:74]#[N:75].[F:64][C:65]([CH:66]1[NH:67][CH2:68][CH2:69][CH2:70]1)([F:71])[F:72].[NH2:52][CH:53]1[CH2:54][CH:55]([C:56]([O:57][CH2:58][CH3:59])=[O:60])[CH:61]([CH3:62])[CH2:63]1>>[CH3:1][CH:2]1[CH2:3][CH:4]([NH:29][S:30](=[O:31])(=[O:32])[N:67]2[CH:66]([C:65]([F:64])([F:71])[F:72])[CH2:70][CH2:69][CH2:68]2)[CH2:5][CH:6]1[c:7]1[n:8][cH:9][c:10]2[n:11]1[c:12]1[c:13]([n:14][cH:15]2)[n:16]([S:19](=[O:20])(=[O:21])[c:22]2[cH:23][cH:24][c:25]([CH3:26])[cH:27][cH:28]2)[cH:17][cH:18]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 27828392-(Trifluoromethyl)pyrrolidineHCID 58010132Ethyl 4-amino-2-methylcyclopentanecarboxylateHCID 77394310N-[3-methyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]-2-oxo-1,3-oxazolidine-3-sulfonamideHCID 1784741634-acetamido-2-methylcyclopentane-1-carboxylic acid

Product 1

HCID 178427320N-[3-methyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]-2-(trifluoromethyl)pyrrolidine-1-sulfonamide

Sources & evidence

ORD record
ord-b90d1723ab064a4d8c5d418119af75b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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