Water → 5-[3-(2,6-dichloropyridin-4-yl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2-(1H-1,2,4-triazol-1-yl)benzonitrile

HRID 1545424Notes

Reaction equation

HRID 1545424 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:14](=[N:15][CH2:16][Si:19]([CH3:20])([CH3:21])[CH3:22])[S:17][CH3:18])[cH:6][cH:7][c:8]1-[n:9]1[n:10][cH:11][n:12][cH:13]1.[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:38][CH2:39][CH2:40][CH2:41][N+:42]([CH2:43][CH2:44][CH2:45][CH3:46])([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54].[Cl:23][c:24]1[n:25][c:26]([Cl:36])[cH:27][c:28]([C:30](=[CH2:31])[C:32]([F:33])([F:34])[F:35])[cH:29]1.[F-:37].[OH2:55]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:14]2=[N:15][CH2:16][C:30]([c:28]3[cH:27][c:26]([Cl:36])[n:25][c:24]([Cl:23])[cH:29]3)([C:32]([F:33])([F:34])[F:35])[CH2:31]2)[cH:6][cH:7][c:8]1-[n:9]1[n:10][cH:11][n:12][cH:13]1

Participants

7

Reactant 6

HCID 962WaterHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 66820051methyl 3-cyano-4-(1H-1,2,4-triazol-1-yl)-N-[(trimethylsilyl)methyl]benzenecarbimidothioateHCID 86664620Pyridine, 2,6-dichloro-4-[1-(trifluoromethyl)ethenyl]-

Product 1

HCID 497871395-[3-(2,6-dichloropyridin-4-yl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2-(1H-1,2,4-triazol-1-yl)benzonitrile

Sources & evidence

ORD record
ord-c38bffb4d34343019eec18fceaa7b93e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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