Chloride → N-(3-fluoro-4-methanesulfonylaminobenzyl)-3-(2-methyl-6-trifluoromethylpyridin-3-yl)acrylamide

HRID 296409Notes

Reaction equation

HRID 296409 reaction equation
[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:16][N:17]1[CH2:18][CH2:19][O:20][CH2:21][CH2:22]1.[CH3:23][c:24]1[n:25][c:26]([C:35]([F:36])([F:37])[F:38])[cH:27][cH:28][c:29]1[CH:30]=[CH:31][C:32](=[O:33])[OH:34].[CH3:41][O:42][c:43]1[n:44][c:45]([O:46][CH3:47])[n:48][c:49]([N+:50]2([CH3:51])[CH2:52][CH2:53][O:54][CH2:55][CH2:56]2)[n:57]1.[Cl-:40].[ClH:1].[F:2][c:3]1[cH:4][c:5]([CH2:6][NH2:7])[cH:8][cH:9][c:10]1[NH:11][S:12](=[O:13])(=[O:14])[CH3:15].[OH2:39]>>[F:2][c:3]1[cH:4][c:5]([CH2:6][NH:7][C:32]([CH:31]=[CH:30][c:29]2[c:24]([CH3:23])[n:25][c:26]([C:35]([F:36])([F:37])[F:38])[cH:27][cH:28]2)=[O:33])[cH:8][cH:9][c:10]1[NH:11][S:12](=[O:13])(=[O:14])[CH3:15]

Participants

9

Reactant 8

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 962WaterHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 27340604-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-iumHCID 21097526N-(4-(aminomethyl)-2-fluorophenyl)methanesulfonamideHCID 685099343-(2-Methyl-6-trifluoromethylpyridin-3-yl)acrylic acid

Product 1

HCID 68782220N-(3-fluoro-4-methanesulfonylaminobenzyl)-3-(2-methyl-6-trifluoromethylpyridin-3-yl)acrylamide

Sources & evidence

ORD record
ord-224d870f295044a5a0cc9c8b78c51d42
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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