Hexane → 2-{4-Fluoro-alpha-[(2-methylquinazolin-5-yl)amino]-2-methoxybenzyl}-1,1,1-trifluoro-4-methylpent-3-en-2-ol

HRID 1119641Notes

Reaction equation

HRID 1119641 reaction equation
[B:34]([Br:35])([Br:36])[Br:37].[C:70]([O:71][CH2:72][CH3:73])(=[O:74])[CH3:75].[CH3:76][CH2:77][CH2:78][CH2:79][CH2:80][CH3:81].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6]([CH3:7])([CH3:8])[CH2:9][C:10]([OH:11])([C:12]([F:13])([F:14])[F:15])[CH:16]=[O:17])[c:18]([O:19][CH3:20])[cH:21]1.[F:38][c:39]1[cH:40][c:41]([O:68][CH3:69])[c:42]([CH:43]([NH:44][c:45]2[c:46]3[cH:47][n:48][c:49]([CH3:55])[n:50][c:51]3[cH:52][cH:53][cH:54]2)[C:56]([C:57]([F:58])([F:59])[F:60])([CH2:61][C:62](=[CH2:63])[CH3:64])[OH:65])[cH:66][cH:67]1.[NH2:22][c:23]1[cH:24][cH:25][cH:26][c:27]2[c:28]1[cH:29][n:30][c:31]([CH3:32])[n:33]2>>[F:38][c:39]1[cH:40][c:41]([O:68][CH3:69])[c:42]([CH:43]([NH:44][c:45]2[c:46]3[cH:47][n:48][c:49]([CH3:55])[n:50][c:51]3[cH:52][cH:53][cH:54]2)[C:56]([C:57]([F:58])([F:59])[F:60])([CH:61]=[C:62]([CH3:63])[CH3:64])[OH:65])[cH:66][cH:67]1

Participants

7

Reactant 6

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 25134Boron tribromideHCID 179850264-(4-Fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)-pentanalHCID 179850582-Methylquinazolin-5-amineHCID 179850612-{4-Fluoro-alpha-[(2-methylquinazolin-5-yl)amino]-2-methoxybenzyl}-1,1,1-trifluoro-4-methylpent-4-en-2-ol

Product 1

HCID 179850632-{4-Fluoro-alpha-[(2-methylquinazolin-5-yl)amino]-2-methoxybenzyl}-1,1,1-trifluoro-4-methylpent-3-en-2-ol

Sources & evidence

ORD record
ord-6cb51b9a94824008a9b3d4b4aa9da0eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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