Tetrahydrofuran → 1-Acridinol, 1,2,3,4-tetrahydro-6-fluoro-9-(((2-(trifluoromethyl)phenyl)methyl)amino)-

HRID 1218107Notes

Reaction equation

HRID 1218107 reaction equation
[Al+3:57].[F:1][c:2]1[cH:3][c:4]2[n:5][c:6]3[c:11]([c:12]([NH:16][CH2:17][c:18]4[c:19]([C:24]([F:25])([F:26])[F:27])[cH:20][cH:21][cH:22][cH:23]4)[c:13]2[cH:14][cH:15]1)[C:10](=[O:28])[CH2:9][CH2:8][CH2:7]3.[F:29][C:30]([F:31])([F:32])[c:33]1[cH:34][cH:35][cH:36][cH:37][c:38]1[CH2:39][NH:40][c:41]1[c:42]2[c:43]([n:44][c:45]3[c:46]1[CH:47]([OH:48])[CH2:49][CH2:50][CH2:51]3)[cH:52][cH:53][cH:54][cH:55]2.[H-:56].[H-:59].[H-:60].[H-:61].[Li+:58].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1>>[F:1][c:2]1[cH:3][c:4]2[n:5][c:6]3[c:11]([c:12]([NH:16][CH2:17][c:18]4[c:19]([C:24]([F:25])([F:26])[F:27])[cH:20][cH:21][cH:22][cH:23]4)[c:13]2[cH:14][cH:15]1)[CH:10]([OH:28])[CH2:9][CH2:8][CH2:7]3

Participants

7

Reactant 6

HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 30256249-(((2-(Trifluoromethyl)phenyl)methyl)imino)-1,2,3,4,9,10-hexahydroacridin-1-olHCID 139351393,4-dihydro-6-fluoro-9-(2-trifluoromethylbenzylamino)acridin-1(2H)-one

Product 1

HCID 30256251-Acridinol, 1,2,3,4-tetrahydro-6-fluoro-9-(((2-(trifluoromethyl)phenyl)methyl)amino)-

Sources & evidence

ORD record
ord-35d36739a46a4d5e8155daa0eca27630
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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