Bromide ion → 4-Chloro-5-(cyclopentyloxy)-2-fluorobenzenamine

HRID 151540Notes

Reaction equation

HRID 151540 reaction equation
[Br-:31].[CH3:32][CH2:33][CH2:34][CH2:35][N+:36]([CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[I-:28].[K+:27].[NH2:1][c:2]1[c:3]([F:10])[cH:4][c:5]([Cl:9])[c:6]([OH:8])[cH:7]1.[Na+:30].[OH-:29].[OH2:56].[c:11]1([CH3:12])[cH:13][cH:14][c:15]([S:16]([O:17][CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25]2)(=[O:18])=[O:19])[cH:20][cH:26]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][CH2:23][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 317685Cyclopentyl 4-methylbenzene-1-sulfonate

Product 1

HCID 152793894-Chloro-5-(cyclopentyloxy)-2-fluorobenzenamine

Sources & evidence

ORD record
ord-cb0e19c7bdd94bd6a3ebc68eae921d11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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