Chloride → 2-{5-Chloro-3-[(4-chloro-3-trifluoromethyl-benzenesulfonyl)-methoxymethyl-amino]-pyridine-2-carbonyl}-benzoic acid

HRID 108725Notes

Reaction equation

HRID 108725 reaction equation
[Br:1][c:2]1[n:3][cH:4][c:5]([Cl:26])[cH:6][c:7]1[N:8]([S:9](=[O:10])(=[O:11])[c:12]1[cH:13][c:14]([C:19]([F:20])([F:21])[F:22])[c:15]([Cl:18])[cH:16][cH:17]1)[CH2:23][O:24][CH3:25].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH:28]([Mg+:29])([CH3:30])[CH3:31].[Cl-:27].[Cl:48][CH2:49][Cl:50].[O:32]=[C:33]1[O:34][C:35](=[O:36])[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]21>>[c:2]1([C:35](=[O:36])[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[C:33](=[O:32])[OH:34])[n:3][cH:4][c:5]([Cl:26])[cH:6][c:7]1[N:8]([S:9](=[O:10])(=[O:11])[c:12]1[cH:13][c:14]([C:19]([F:20])([F:21])[F:22])[c:15]([Cl:18])[cH:16][cH:17]1)[CH2:23][O:24][CH3:25]

Participants

7

Reactant 6

HCID 312ChlorideHCID 6344DichloromethaneHCID 6811Phthalic AnhydrideHCID 8028TetrahydrofuranHCID 57942086N-(2-Bromo-5-chloro-pyridin-3-yl)-4-chloro-N-methoxvmethyl-3-trifluoromethyl-benzenesulfonamideHCID 178461726HCID 178461726, compound

Product 1

HCID 579423682-{5-Chloro-3-[(4-chloro-3-trifluoromethyl-benzenesulfonyl)-methoxymethyl-amino]-pyridine-2-carbonyl}-benzoic acid

Sources & evidence

ORD record
ord-11641bdc237a4eee97fc9de83d422b82
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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