Octane → Cypermethrin

HRID 1571374Notes

Reaction equation

HRID 1571374 reaction equation
[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[Cl:27][C:28](=[CH:29][CH:30]1[C:31]([CH3:36])([CH3:37])[CH:32]1[C:33](=[O:34])[Cl:35])[Cl:38].[N:4]12[CH2:5][CH2:6][N:7]([CH2:8][CH2:9]1)[CH2:10][CH2:11]2.[Na+:39].[Na+:40].[Na:1][C:2]#[N:3].[O-:41][C:42](=[O:43])[O-:44].[O:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[c:19]1[cH:20][c:21]([CH:22]=[O:23])[cH:24][cH:25][cH:26]1.[OH2:45]>>[C:2](#[N:3])[CH:22]([c:21]1[cH:20][c:19]([O:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:26][cH:25][cH:24]1)[O:23][C:33]([CH:32]1[CH:30]([CH:29]=[C:28]([Cl:27])[Cl:38])[C:31]1([CH3:36])[CH3:37])=[O:34]

Participants

9

Reactant 8

HCID 356OctaneHCID 923Sodium ion2×HCID 962WaterHCID 9237DabcoHCID 19660Carbonate IonHCID 382843-PhenoxybenzaldehydeHCID 94551Permethric chlorideHCID 178511850HCID 178511850, compound

Product 1

HCID 2912Cypermethrin

Sources & evidence

ORD record
ord-9dc40b6fc7734167aba7229a3b70aa6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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