Bromide ion → 2-Fluoro-4-chloro-5-(3-methylcyclopentyl)oxyaniline

HRID 194283Notes

Reaction equation

HRID 194283 reaction equation
[Br-:32].[CH3:33][CH2:34][CH2:35][CH2:36][N+:37]([CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[I-:29].[K+:28].[NH2:1][c:2]1[c:3]([F:10])[cH:4][c:5]([Cl:9])[c:6]([OH:8])[cH:7]1.[Na+:31].[OH-:30].[OH2:57].[c:11]1([CH3:12])[cH:13][cH:14][c:15]([S:16]([O:17][CH:21]2[CH2:22][CH:23]([CH3:26])[CH2:24][CH2:25]2)(=[O:18])=[O:19])[cH:20][cH:27]1>>[NH2:1][c:2]1[c:3]([F:10])[cH:4][c:5]([Cl:9])[c:6]([O:8][CH:21]2[CH2:22][CH:23]([CH3:26])[CH2:24][CH2:25]2)[cH:7]1

Participants

11

Reactant 10

HCID 259Bromide ionHCID 813Potassium CationHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 16028TetrabutylammoniumHCID 30165Iodide IonHCID 1586545-Amino-2-chloro-4-fluorophenolHCID 190423383-Methylcyclopentyl 4-methylbenzene-1-sulfonate

Product 1

HCID 152793912-Fluoro-4-chloro-5-(3-methylcyclopentyl)oxyaniline

Sources & evidence

ORD record
ord-318af92328934621979ab19fc921110d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…