Hydrochloric Acid → Epyrifenacil

HRID 1129114Notes

Reaction equation

[CH3:1][CH:2]([CH2:3][CH2:4][O:5][N:6]=[O:7])[CH3:8].[CH3:45][C:46]#[N:47].[Cl:48][Cu:49].[Cl:50][Cu:51][Cl:52].[ClH:44].[NH2:9][c:10]1[c:11]([O:12][c:13]2[c:14]([O:19][CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[n:15][cH:16][cH:17][cH:18]2)[cH:26][c:27](-[n:31]2[c:32](=[O:43])[n:33]([CH3:42])[c:34]([C:38]([F:39])([F:40])[F:41])[cH:35][c:36]2=[O:37])[c:28]([F:30])[cH:29]1>>[c:10]1([Cl:44])[c:11]([O:12][c:13]2[c:14]([O:19][CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[n:15][cH:16][cH:17][cH:18]2)[cH:26][c:27](-[n:31]2[c:32](=[O:43])[n:33]([CH3:42])[c:34]([C:38]([F:39])([F:40])[F:41])[cH:35][c:36]2=[O:37])[c:28]([F:30])[cH:29]1

Participants

Reactant 6

HCID 313Hydrochloric Acid

HCID 6342Acetonitrile

HCID 8053Isoamyl Nitrite

HCID 24014Cupric Chloride

HCID 62652Cuprous chloride

HCID 186191543-{2-Amino-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-2-(ethoxycarbonyl)methoxypyridine

Product 1

HCID 12097345Epyrifenacil

Sources & evidence

ORD record: ord-d8c968a4422e4788b173e3dc0de0a00c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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