Acetate → 4-Fluoro-3-(thiophen-2-yl)aniline

HRID 1124388Notes

Reaction equation

HRID 1124388 reaction equation
[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[CH:9]1([P:10]([CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2-[c:23]2[c:24]([O:25][CH3:26])[cH:27][cH:28][cH:29][c:30]2[O:31][CH3:32])[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[Cl:46][c:47]1[cH:48][c:49]([NH2:50])[cH:51][cH:52][c:53]1[F:54].[K+:43].[K+:44].[K+:45].[O-:56][C:57]([CH3:58])=[O:59].[O-:60][C:61]([CH3:62])=[O:63].[OH2:70].[P:38]([O-:39])([O-:40])([O-:41])=[O:42].[Pd+2:55].[s:1]1[c:2]([B:6]([OH:7])[OH:8])[cH:3][cH:4][cH:5]1>>[s:1]1[c:2](-[c:47]2[cH:48][c:49]([NH2:50])[cH:51][cH:52][c:53]2[F:54])[cH:3][cH:4][cH:5]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 8857Ethyl AcetateHCID 97083-Chloro-4-fluoroanilineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27339602-Thiopheneboronic acidHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl

Product 1

HCID 578293344-Fluoro-3-(thiophen-2-yl)aniline

Sources & evidence

ORD record
ord-99cf5b84b8d14471bbf5f728c09b167e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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