Titanium cation (4+) → 1-[(2-Ethylquinazolin-5-yl)imino]-4-(3-fluoro-2-methoxyphenyl)-2-(trifluoromethyl)hexan-2-ol

HRID 2329038Notes

Reaction equation

HRID 2329038 reaction equation
[CH3:35][CH2:36][O-:37].[CH3:38][CH2:39][O-:40].[CH3:41][CH2:42][O-:43].[CH3:44][CH2:45][O-:46].[F:1][c:2]1[c:3]([O:20][CH3:21])[c:4]([CH:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])[CH2:18][CH3:19])[cH:5][cH:6][cH:7]1.[NH2:22][c:23]1[c:24]2[cH:25][n:26][c:27]([CH2:33][CH3:34])[n:28][c:29]2[cH:30][cH:31][cH:32]1.[Ti+4:47]>>[F:1][c:2]1[c:3]([O:20][CH3:21])[c:4]([CH:8]([CH2:9][C:10]([CH:11]=[N:22][c:23]2[c:24]3[cH:25][n:26][c:27]([CH2:33][CH3:34])[n:28][c:29]3[cH:30][cH:31][cH:32]2)([C:13]([F:14])([F:15])[F:16])[OH:17])[CH2:18][CH3:19])[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 114942Titanium cation (4+)HCID 1194401-Hydroxyethyl radical4×HCID 669689825-Amino-2-ethylquinazolineHCID 866153234-(3-Fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)hexanal

Product 1

HCID 669694671-[(2-Ethylquinazolin-5-yl)imino]-4-(3-fluoro-2-methoxyphenyl)-2-(trifluoromethyl)hexan-2-ol

Sources & evidence

ORD record
ord-97765650f6aa4694b4cff0a88ebe2c8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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