Water → 2-(4-(7-(4-Chlorophenyl)-3-oxo-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)phenyl)-2-hydroxyacetonitrile

HRID 117940

Reaction equation

HRID 117940 reaction equation
[C:37](#[N:38])[Si:39]([CH3:40])([CH3:41])[CH3:42].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:29]3[cH:30][cH:31][c:32]([CH:33]=[O:34])[cH:35][cH:36]3)[c:10]3[n:11]([cH:12][cH:13]2)[c:14](=[O:28])[n:15]([CH2:17][c:18]2[cH:19][n:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]2)[n:16]3)[cH:6][cH:7]1.[Cl:43][CH2:44][Cl:45].[I-:47].[I-:49].[OH2:46].[Zn+2:48]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:29]3[cH:30][cH:31][c:32]([CH:33]([OH:34])[C:37]#[N:38])[cH:35][cH:36]3)[c:10]3[n:11]([cH:12][cH:13]2)[c:14](=[O:28])[n:15]([CH2:17][c:18]2[cH:19][n:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]2)[n:16]3)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 962WaterHCID 6344DichloromethaneHCID 30165Iodide Ion2×HCID 32051Zinc(2+)HCID 82115Trimethylsilyl cyanideHCID 577994634-(7-(4-Chlorophenyl)-3-oxo-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzaldehyde

Product 1

HCID 160051972-(4-(7-(4-Chlorophenyl)-3-oxo-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)phenyl)-2-hydroxyacetonitrile

Sources & evidence

ORD record
ord-d9e96bd975644e3eb1886ea4ea703f6c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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