Acetic Acid → 4-chloro-N-{2-[2-chloro-5-(3-methyl-ureido)-benzoyl]-5-methyl-pyridin-3-yl}-3-trifluoromethyl-benzene sulfonamide

HRID 202932Notes

Reaction equation

HRID 202932 reaction equation
[C:42]([OH:43])(=[O:44])[CH3:45].[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:1][N:2]=[C:3]=[O:4].[NH2:5][c:6]1[cH:7][cH:8][c:9]([Cl:36])[c:10]([C:11](=[O:12])[c:13]2[n:14][cH:15][c:16]([CH3:34])[cH:17][c:18]2[NH:19][S:20](=[O:21])(=[O:22])[c:23]2[cH:24][c:25]([C:30]([F:31])([F:32])[F:33])[c:26]([Cl:29])[cH:27][cH:28]2)[cH:35]1>>[CH3:1][NH:2][C:3](=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9]([Cl:36])[c:10]([C:11](=[O:12])[c:13]2[n:14][cH:15][c:16]([CH3:34])[cH:17][c:18]2[NH:19][S:20](=[O:21])(=[O:22])[c:23]2[cH:24][c:25]([C:30]([F:31])([F:32])[F:33])[c:26]([Cl:29])[cH:27][cH:28]2)[cH:35]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 12228Methyl IsocyanateHCID 57942517N-[2-(5-amino-2-chloro-benzoyl)-5-methyl-pyridin-3-yl]-4-chloro-3-trifluoromethyl-benzenesulfonamide

Product 1

HCID 579426094-chloro-N-{2-[2-chloro-5-(3-methyl-ureido)-benzoyl]-5-methyl-pyridin-3-yl}-3-trifluoromethyl-benzene sulfonamide

Sources & evidence

ORD record
ord-bdb34d7fb8514eeda69cf968c771975d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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