Water → HCID 178462530, compound

HRID 119084

Reaction equation

HRID 119084 reaction equation
[CH3:41][C:42]#[N:43].[Cl+3:35]([O-:36])([O-:37])([O-:38])[O-:39].[F:19][c:20]1[cH:21][cH:22][c:23]([C:26]2=[CH:31][CH2:30][NH:29][CH2:28][CH2:27]2)[n:24][cH:25]1.[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+:40].[OH2:32].[OH2:33].[OH2:34]>>[F:1][c:2]1[c:3]([C:9]([OH:10])([CH:11]([CH3:12])[N:29]2[CH2:28][CH2:27][C:26]([c:23]3[cH:22][cH:21][c:20]([F:19])[cH:25][n:24]3)=[CH:31][CH2:30]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 673046945-Fluoro-1',2',3',6'-tetrahydro-2,4'-bipyridine

Product 1

HCID 178462530HCID 178462530, compound

Sources & evidence

ORD record
ord-751334c955384d5fa4d8f62c1428bb2a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…