Titanium cation (4+) → 4-(3-Fluoro-2-methoxyphenyl)-1-[(7-fluoro-2-methylquinazolin-5-yl)imino]-2-(trifluoromethyl)heptan-2-ol

HRID 194957Notes

Reaction equation

HRID 194957 reaction equation
[CH3:36][CH2:37][O-:38].[CH3:39][CH2:40][O-:41].[CH3:42][CH2:43][O-:44].[CH3:45][CH2:46][O-:47].[F:1][c:2]1[c:3]([O:21][CH3:22])[c:4]([CH:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])[CH2:18][CH2:19][CH3:20])[cH:5][cH:6][cH:7]1.[NH2:23][c:24]1[c:25]2[cH:26][n:27][c:28]([CH3:35])[n:29][c:30]2[cH:31][c:32]([F:34])[cH:33]1.[Ti+4:48]>>[F:1][c:2]1[c:3]([O:21][CH3:22])[c:4]([CH:8]([CH2:9][C:10]([CH:11]=[N:23][c:24]2[c:25]3[cH:26][n:27][c:28]([CH3:35])[n:29][c:30]3[cH:31][c:32]([F:34])[cH:33]2)([C:13]([F:14])([F:15])[F:16])[OH:17])[CH2:18][CH2:19][CH3:20])[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 114942Titanium cation (4+)HCID 1194401-Hydroxyethyl radical4×HCID 179850417-Fluoro-2-methylquinazolin-5-amineHCID 866153274-(3-Fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)heptanal

Product 1

HCID 669689874-(3-Fluoro-2-methoxyphenyl)-1-[(7-fluoro-2-methylquinazolin-5-yl)imino]-2-(trifluoromethyl)heptan-2-ol

Sources & evidence

ORD record
ord-53cb71475b654468a13790c10f082800
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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