Sodium ion → [5-Fluoro-3-{5-[4-[(1-methylethyl)oxy]-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}-2-(methyloxy)phenyl]acetaldehyde

HRID 2327395Notes

Reaction equation

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

Participants

Reactant 6

HCID 923Sodium ion

HCID 962Water

HCID 6342Acetonitrile

HCID 6397Chlorotrimethylsilane

HCID 30165Iodide Ion

HCID 669818302-[5-Fluoro-2-methoxy-3-(2-methoxyethenyl)phenyl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole

Product 1

HCID 86659002[5-Fluoro-3-{5-[4-[(1-methylethyl)oxy]-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}-2-(methyloxy)phenyl]acetaldehyde

Sources & evidence

ORD record: ord-71bbf8267a8a405abc72939f3c576ebc
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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