1,4-Dioxane → HCID 46929059, compound

HRID 2133137Notes

Reaction equation

HRID 2133137 reaction equation
[CH3:14][O:15][C:16]([c:17]1[cH:18][n:19][c:20]([O:23][CH2:24][c:25]2[c:26](-[c:32]3[cH:33][c:34]([F:39])[c:35]([F:38])[cH:36][cH:37]3)[n:27][o:28][c:29]2[CH2:30][OH:31])[cH:21][cH:22]1)=[O:40].[CH3:1][Al:2]([CH3:3])[CH3:4].[F:5][C:6]([CH2:7][NH2:8])([C:9]([F:10])([F:11])[F:12])[F:13].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[F:5][C:6]([CH2:7][NH:8][C:16](=[O:15])[c:17]1[cH:18][n:19][c:20]([O:23][CH2:24][c:25]2[c:26](-[c:32]3[cH:33][c:34]([F:39])[c:35]([F:38])[cH:36][cH:37]3)[n:27][o:28][c:29]2[CH2:30][OH:31])[cH:21][cH:22]1)([C:9]([F:10])([F:11])[F:12])[F:13]

Participants

5

Reactant 4

HCID 312751,4-DioxaneHCID 790022,2,3,3,3-PentafluoropropylamineHCID 16682925TrimethylaluminumHCID 667181646-[3-(3,4-Difluoro-phenyl)-5-hydroxymethyl-isoxazol-4-ylmethoxy]-nicotinic acid methyl ester

Product 1

HCID 46929059HCID 46929059, compound

Sources & evidence

ORD record
ord-ecb67972824c4ef9afcaca036ce78085
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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