Bromide ion → 4-Bromo-2-fluoro-5-methylaniline

HRID 193380Notes

Reaction equation

HRID 193380 reaction equation
[Br-:15].[Br-:16].[Br-:17].[C:10](=[O:11])([O-:12])[O-:13].[CH2:18]([N+:19]([CH3:20])([CH3:21])[CH3:22])[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[CH2:29]([N+:30]([CH3:31])([CH3:32])[CH3:33])[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH2:40]([N+:41]([CH3:42])([CH3:43])[CH3:44])[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:54][OH:55].[Ca+2:14].[Cl:51][CH2:52][Cl:53].[F:1][c:2]1[c:3]([NH2:4])[cH:5][c:6]([CH3:9])[cH:7][cH:8]1>>[F:1][c:2]1[c:3]([NH2:4])[cH:5][c:6]([CH3:9])[c:7]([Br:15])[cH:8]1

Participants

8

Reactant 7

HCID 259Bromide ion3×HCID 271Calcium CationHCID 887MethanolHCID 5964Benzyltrimethylammonium3×HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 2629702-Fluoro-5-methylaniline

Product 1

HCID 70180404-Bromo-2-fluoro-5-methylaniline

Sources & evidence

ORD record
ord-3a8529d6316a463cb54b541fe67b07f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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