Hydrochloric Acid → 4-(4-Cyano-3-fluoro-phenoxy)-2,2-dimethyl-2,3-dihydro-benzofuran-6-carboxylic acid (2-methyl-2H-[1,2,3]triazol-4-yl)-amide

HRID 701428Notes

Reaction equation

HRID 701428 reaction equation
[CH3:2][n:3]1[n:4][cH:5][c:6]([NH2:8])[n:7]1.[CH3:9][O:10][C:11](=[O:12])[c:13]1[cH:14][c:15]2[c:16]([c:22]([O:24][c:25]3[cH:26][c:27]([F:33])[c:28]([C:31]#[N:32])[cH:29][cH:30]3)[cH:23]1)[CH2:17][C:18]([CH3:20])([CH3:21])[O:19]2.[ClH:1]>>[CH3:2][n:3]1[n:4][cH:5][c:6]([NH:8][C:11](=[O:10])[c:13]2[cH:14][c:15]3[c:16]([c:22]([O:24][c:25]4[cH:26][c:27]([F:33])[c:28]([C:31]#[N:32])[cH:29][cH:30]4)[cH:23]2)[CH2:17][C:18]([CH3:20])([CH3:21])[O:19]3)[n:7]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 145364352-Methyl-2H-1,2,3-triazol-4-amineHCID 667562294-(4-Cyano-3-fluoro-phenoxy)-2,2-dimethyl-2,3-dihydro-benzofuran-6-carboxylic acid methyl ester

Product 1

HCID 667555474-(4-Cyano-3-fluoro-phenoxy)-2,2-dimethyl-2,3-dihydro-benzofuran-6-carboxylic acid (2-methyl-2H-[1,2,3]triazol-4-yl)-amide

Sources & evidence

ORD record
ord-77893803902d4fc59bd69fe84b9aec86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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