Acetate → 3-tert-Butoxy-5-fluoroaniline

HRID 2158322Notes

Reaction equation

HRID 2158322 reaction equation
[Br:1][c:2]1[cH:3][c:4]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[cH:5][c:6]([F:8])[cH:7]1.[C:77]([O-:78])(=[O:79])[CH3:80].[CH3:28][O-:29].[CH3:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[CH3:92][OH:93].[ClH:82].[NH2:83][OH:84].[Na+:30].[Na+:81].[O:14]=[C:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][c:42]3[c:43]([cH:44][cH:45][cH:46][cH:47]3)[c:48]2-[c:49]2[c:50]3[c:51]([cH:52][cH:53][cH:54][cH:55]3)[cH:56][cH:57][c:58]2[P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[c:2]1([NH2:83])[cH:3][c:4]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[cH:5][c:6]([F:8])[cH:7]1

Participants

11

Reactant 10

HCID 175AcetateHCID 313Hydrochloric AcidHCID 787HydroxylamineHCID 887MethanolHCID 923Sodium ion2×HCID 1140TolueneHCID 3102BenzophenoneHCID 634876Binap, (A+-)-HCID 3826051MethoxideHCID 568442921-Bromo-3-tert-butoxy-5-fluorobenzene

Product 1

HCID 667439143-tert-Butoxy-5-fluoroaniline

Sources & evidence

ORD record
ord-75a5777543644cc497002a24b01f2ba1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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