Bromide ion → Flumethrin

HRID 2130171Notes

Reaction equation

HRID 2130171 reaction equation
[Br-:40].[CH3:41][CH2:42][CH2:43][CH2:44][N+:45]([CH2:46][CH2:47][CH2:48][CH3:49])([CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH2:56][CH3:57].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH3:65][CH2:66][CH2:67][CH2:68][CH2:69][CH3:70].[Cl-:17].[Cl:18][C:19](=[CH:20][CH:21]1[C:22]([CH3:27])([CH3:28])[CH:23]1[C:24](=[O:25])[OH:26])[c:29]1[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]1.[Na:36][C:37]#[N:38].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH:11]=[O:12])[cH:13][cH:14][c:15]1[F:16].[OH2:39]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH:11]([O:12][C:24]([CH:23]2[CH:21]([CH:20]=[C:19]([Cl:18])[c:29]3[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[C:22]2([CH3:27])[CH3:28])=[O:25])[C:37]#[N:38])[cH:13][cH:14][c:15]1[F:16]

Participants

10

Reactant 9

HCID 259Bromide ionHCID 312ChlorideHCID 962WaterHCID 1140TolueneHCID 8058HexaneHCID 16028TetrabutylammoniumHCID 1100684-Fluoro-3-phenoxybenzaldehydeHCID 54156496HCID 54156496, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 91702Flumethrin

Sources & evidence

ORD record
ord-09f3de226a39469cb5f28e96ada94015
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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