Potassium Cation → Methyl 2-[2-[[6-chloro-3-(2-methylphenyl)sulfanyl-1,2,4-triazin-5-yl]oxy]phenyl]-3-methoxyprop-2-enoate

HRID 290691Notes

Reaction equation

HRID 290691 reaction equation
[C:17](=[O:18])([O-:19])[O-:20].[CH3:58][C:59]#[N:60].[Cl:1][c:2]1[c:3]([Cl:16])[n:4][c:5]([S:8][c:9]2[c:10]([CH3:15])[cH:11][cH:12][cH:13][cH:14]2)[n:6][n:7]1.[Cs+:57].[F-:56].[K+:21].[K+:22].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46][O:47][CH2:48][CH2:49][O:50][CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH:23][c:24]1[c:25]([C:30]([C:31](=[O:32])[O:33][CH3:34])=[CH:35][O:36][CH3:37])[cH:26][cH:27][cH:28][cH:29]1>>[Cl:1][c:2]1[c:3]([O:23][c:24]2[c:25]([C:30]([C:31](=[O:32])[O:33][CH3:34])=[CH:35][O:36][CH3:37])[cH:26][cH:27][cH:28][cH:29]2)[n:4][c:5]([S:8][c:9]2[c:10]([CH3:15])[cH:11][cH:12][cH:13][cH:14]2)[n:6][n:7]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 28179Fluoride IonHCID 2855718-Crown-6HCID 104967Cesium cationHCID 21217653Dichloro-(2-methylphenylthio)-1,2,4-triazineHCID 53395350Methyl 2-(2-hydroxyphenyl)-3-methoxyprop-2-enoate

Product 1

HCID 173298366Methyl 2-[2-[[6-chloro-3-(2-methylphenyl)sulfanyl-1,2,4-triazin-5-yl]oxy]phenyl]-3-methoxyprop-2-enoate

Sources & evidence

ORD record
ord-f9abb3fcd4f14441907bc7ce67da3861
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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