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

HRID 673264Notes

Reaction equation

HRID 673264 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.[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:39][CH2:40][CH2:41][CH2:42][N+:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55].[Cl:23][c:24]1[c:25]([Cl:37])[c:26]([Cl:36])[cH:27][c:28]([C:30](=[CH2:31])[C:32]([F:33])([F:34])[F:35])[cH:29]1.[F-:38].[OH2:56]>>[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])[c:25]([Cl:37])[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 498201551,2,3-Trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzeneHCID 66820051methyl 3-cyano-4-(1H-1,2,4-triazol-1-yl)-N-[(trimethylsilyl)methyl]benzenecarbimidothioate

Product 1

HCID 441832602-(1H-1,2,4-triazol-1-yl)-5-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]benzonitrile

Sources & evidence

ORD record
ord-ef7c35da2bc04ab48ef83a27158b9177
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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