Sodium ion → {5-(tert-Butyldimethylsilyloxy)-2-[6-(tert-butyldimethylsilyloxy)-1,2,3,4-tetrahydronaphthalen-2-yl]phenyl}(2-fluoroethyl)[3-fluoro-4-(2-piperidin-1-ylethoxy)benzyl]amine

HRID 88429Notes

Reaction equation

HRID 88429 reaction equation
[C:15]([CH3:16])([CH3:17])([CH3:18])[Si:19]([O:20][c:21]1[cH:22][cH:23][c:24]([CH:45]2[CH2:46][c:47]3[cH:48][cH:49][c:50]([O:55][Si:56]([CH3:57])([CH3:58])[C:59]([CH3:60])([CH3:61])[CH3:62])[cH:51][c:52]3[CH2:53][CH2:54]2)[c:25]([NH:27][CH2:28][c:29]2[cH:30][c:31]([F:44])[c:32]([O:35][CH2:36][CH2:37][N:38]3[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]3)[cH:33][cH:34]2)[cH:26]1)([CH3:63])[CH3:64].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[Cl:65][CH2:66][Cl:67].[Cl:7][C:8]([C:9]([Cl:10])=[O:11])=[O:12].[Na+:14].[Na+:1].[O-:2][C:3](=[O:4])[CH2:5][F:6].[OH-:13]>>[CH2:3]([CH2:5][F:6])[N:27]([c:25]1[c:24]([CH:45]2[CH2:46][c:47]3[cH:48][cH:49][c:50]([O:55][Si:56]([CH3:57])([CH3:58])[C:59]([CH3:60])([CH3:61])[CH3:62])[cH:51][c:52]3[CH2:53][CH2:54]2)[cH:23][cH:22][c:21]([O:20][Si:19]([C:15]([CH3:16])([CH3:17])[CH3:18])([CH3:63])[CH3:64])[cH:26]1)[CH2:28][c:29]1[cH:30][c:31]([F:44])[c:32]([O:35][CH2:36][CH2:37][N:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[cH:33][cH:34]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 961HydroxideHCID 5236Acetic acid, fluoro-, ion(1-)HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 65578Oxalyl chlorideHCID 57934032{5-(tert-Butyldimethylsilyloxy)-2-[6-(tert-butyldimethylsilyloxy)-1,2,3,4-tetrahydronaphthalen-2-yl]phenyl}[3-fluoro-4-(2-piperidin-1-yl-ethoxy)benzyl]amine

Product 1

HCID 57933781{5-(tert-Butyldimethylsilyloxy)-2-[6-(tert-butyldimethylsilyloxy)-1,2,3,4-tetrahydronaphthalen-2-yl]phenyl}(2-fluoroethyl)[3-fluoro-4-(2-piperidin-1-ylethoxy)benzyl]amine

Sources & evidence

ORD record
ord-f6b2aea3d3e74a05993c5f4036b2cb40
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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