Water → HCID 178462528, compound

HRID 2324780Notes

Reaction equation

HRID 2324780 reaction equation
[CH3:40][C:41]#[N:42].[Cl+3:34]([O-:35])([O-:36])([O-:37])[O-:38].[F:1][c:2]1[c:3]([C:9]2([CH2:13][n:14]3[n:15][cH:16][n:17][cH:18]3)[O:10][CH:11]2[CH3:12])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[Li+:39].[OH2:31].[OH2:32].[OH2:33].[n:19]1[c:20]([C:25]2=[CH:30][CH2:29][NH:28][CH2:27][CH2:26]2)[cH:21][cH:22][cH:23][cH:24]1>>[F:1][c:2]1[c:3]([C:9]([OH:10])([CH:11]([CH3:12])[N:28]2[CH2:27][CH2:26][C:25]([c:20]3[n:19][cH:24][cH:23][cH:22][cH:21]3)=[CH:30][CH2:29]2)[CH2:13][n:14]2[n:15][cH:16][n:17][cH:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

7

Reactant 6

HCID 962Water3×HCID 6342AcetonitrileHCID 28486Lithium ionHCID 123351PerchlorateHCID 147064491-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazoleHCID 151668421',2',3',6'-Tetrahydro-2,4'-bipyridine

Product 1

HCID 178462528HCID 178462528, compound

Sources & evidence

ORD record
ord-9be36ab0a9094c56b76ab7721e03248a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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