Water → N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoro-2-hydroxy-1-isopropyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylacetamide

HRID 158153Notes

Reaction equation

HRID 158153 reaction equation
[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:64][CH2:65][CH2:66][CH2:67][CH3:68].[CH:6]([NH:7][CH:8]([CH3:9])[CH3:10])([CH3:11])[CH3:12].[F:30][c:31]1[cH:32][c:33]2[c:38]([cH:39][cH:40]1)[CH:37]([CH:41]([CH3:42])[CH3:43])[C:36](=[O:44])[CH2:35][CH2:34]2.[Li:1][CH2:2][CH2:3][CH2:4][CH3:5].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:63].[nH:13]1[c:14]([CH2:22][CH2:23][CH2:24][N:25]([C:26]([CH3:27])=[O:28])[CH3:29])[n:15][c:16]2[c:17]1[cH:18][cH:19][cH:20][cH:21]2>>[nH:13]1[c:14]([CH2:22][CH2:23][CH2:24][N:25]([C:26]([CH2:27][C:36]2([OH:44])[CH2:35][CH2:34][c:33]3[cH:32][c:31]([F:30])[cH:40][cH:39][c:38]3[CH:37]2[CH:41]([CH3:42])[CH3:43])=[O:28])[CH3:29])[n:15][c:16]2[c:17]1[cH:18][cH:19][cH:20][cH:21]2

Participants

10

Reactant 9

HCID 962WaterHCID 1140TolueneHCID 7912DiisopropylamineHCID 8003PentaneHCID 8028TetrahydrofuranHCID 8058HexaneHCID 110200276-Fluoro-1-(propan-2-yl)-3,4-dihydronaphthalen-2(1H)-oneHCID 11107182N-[3-(1H-benzimidazol-2-yl)propyl]-N-methylacetamideHCID 178418339Butyllithium

Product 1

HCID 10917130N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoro-2-hydroxy-1-isopropyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylacetamide

Sources & evidence

ORD record
ord-4dfe50b75f9b46548dae33b1066096ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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