Sodium ion → {5-[5-Bromo-6-(2-chloro-4-fluoro-phenoxy)-pyridine-3-sulfonylamino]-5,6,7,8-tetrahydro-naphthalen-1-yloxy}-acetic acid tert-butyl ester

HRID 1153044Notes

Reaction equation

HRID 1153044 reaction equation
[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17]([CH2:18][O:19][c:20]1[cH:21][cH:22][cH:23][c:24]2[c:29]1[CH2:28][CH2:27][CH2:26][CH:25]2[NH:30][S:31](=[O:32])(=[O:33])[c:34]1[cH:35][n:36][c:37]([Cl:41])[c:38]([Br:40])[cH:39]1)=[O:42].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[Cl:1][c:2]1[c:3]([OH:9])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[H-:10].[Na+:11]>>[Cl:1][c:2]1[c:3]([O:9][c:37]2[n:36][cH:35][c:34]([S:31]([NH:30][CH:25]3[c:24]4[cH:23][cH:22][cH:21][c:20]([O:19][CH2:18][C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:42])[c:29]4[CH2:28][CH2:27][CH2:26]3)(=[O:32])=[O:33])[cH:39][c:38]2[Br:40])[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 748142-Chloro-4-fluorophenolHCID 166653HydrideHCID 59192603[5-(5-Bromo-6-chloro-pyridine-3-sulfonylamino)-5,6,7,8-tetrahydro-naphthalen-1-yloxy]-acetic acid tert-butyl ester

Product 1

HCID 59192570{5-[5-Bromo-6-(2-chloro-4-fluoro-phenoxy)-pyridine-3-sulfonylamino]-5,6,7,8-tetrahydro-naphthalen-1-yloxy}-acetic acid tert-butyl ester

Sources & evidence

ORD record
ord-5df0f5dc88524e23b4fdb73bc3842687
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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