Bromide ion → HCID 54440363, compound

HRID 2158975Notes

Reaction equation

HRID 2158975 reaction equation
[Br-:44].[CH3:18][C:19]1([CH3:39])[CH:20]([C:36](=[O:37])[OH:38])[CH:21]1[CH:22]=[C:23]([c:24]1[cH:25][cH:26][c:27]([O:30][C:31]([F:32])([F:33])[F:34])[cH:28][cH:29]1)[Cl:35].[CH3:45][CH2:46][CH2:47][CH2:48][N+:49]([CH2:50][CH2:51][CH2:52][CH3:53])([CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH3:61].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[CH3:69][CH2:70][CH2:71][CH2:72][CH2:73][CH3:74].[Cl-:17].[Na:40][C:41]#[N:42].[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].[OH2:43]>>[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:36]([CH:20]2[C:19]([CH3:18])([CH3:39])[CH:21]2[CH:22]=[C:23]([c:24]2[cH:25][cH:26][c:27]([O:30][C:31]([F:32])([F:33])[F:34])[cH:28][cH:29]2)[Cl:35])=[O:37])[C:41]#[N:42])[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 54111873HCID 54111873, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 54440363HCID 54440363, compound

Sources & evidence

ORD record
ord-d09e6a346a3640ee9490482cac3e787c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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