Toluene → Cypermethrin

HRID 1563456Notes

Reaction equation

HRID 1563456 reaction equation
[CH3:31][S:32](=[O:33])(=[O:34])[Cl:35].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][C:48]1=[O:49].[Cl:1][C:2](=[CH:3][CH:4]1[C:5]([CH3:10])([CH3:11])[CH:6]1[C:7](=[O:8])[OH:9])[Cl:12].[Na:28][C:29]#[N:30].[O:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:20]1[cH:21][c:22]([CH:23]=[O:24])[cH:25][cH:26][cH:27]1>>[Cl:1][C:2](=[CH:3][CH:4]1[C:5]([CH3:10])([CH3:11])[CH:6]1[C:7](=[O:8])[O:9][CH:23]([c:22]1[cH:21][c:20]([O:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:27][cH:26][cH:25]1)[C:29]#[N:30])[Cl:12]

Participants

7

Reactant 6

HCID 1140TolueneHCID 13387N-methyl-2-pyrrolidoneHCID 31297Methanesulfonyl chlorideHCID 382843-PhenoxybenzaldehydeHCID 91658Permethric acidHCID 178511850HCID 178511850, compound

Product 1

HCID 2912Cypermethrin

Sources & evidence

ORD record
ord-b0bca28dfb57498aa248e496569f61b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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