Sodium ion → {4-[4-(2-Nitro-4-trifluoromethanesulfonyl-phenoxy)-benzenesulfonyl]-phenoxy}-acetic acid ethyl ester

HRID 1211517Notes

Reaction equation

HRID 1211517 reaction equation
[H-:25].[N+:26](=[O:27])([O-:28])[c:29]1[c:30]([Cl:42])[cH:31][cH:32][c:33]([S:35](=[O:36])(=[O:37])[C:38]([F:39])([F:40])[F:41])[cH:34]1.[Na+:24].[OH:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][cH:13][c:14]([O:15][CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:22][cH:23]2)[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][cH:13][c:14]([O:15][CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:22][cH:23]2)[cH:6][cH:7]1)[c:30]1[c:29]([N+:26](=[O:27])[O-:28])[cH:34][c:33]([S:35](=[O:36])(=[O:37])[C:38]([F:39])([F:40])[F:41])[cH:32][cH:31]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 166653HydrideHCID 15479561-Chloro-2-nitro-4-trifluoromethanesulfonylbenzeneHCID 3614055Ethyl [4-(4-hydroxyphenylsulfonyl)phenoxy)acetate

Product 1

HCID 9873218{4-[4-(2-Nitro-4-trifluoromethanesulfonyl-phenoxy)-benzenesulfonyl]-phenoxy}-acetic acid ethyl ester

Sources & evidence

ORD record
ord-8d742ce6f79042efb0a87bdd84eb01b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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