Acetate → N-(3-bromo-5-fluorophenyl)acetamide

HRID 1206776Notes

Reaction equation

HRID 1206776 reaction equation
[Br:53][c:54]1[cH:55][c:56]([Br:61])[cH:57][c:58]([F:60])[cH:59]1.[C:47](=[O:48])([O-:49])[O-:50].[C:62]([O-:63])(=[O:64])[CH3:65].[C:67]([O-:68])(=[O:69])[CH3:70].[CH3:1][C:2]([NH2:3])=[O:4].[Cl:71][CH2:72][Cl:73].[Cs+:51].[Cs+:52].[Pd+2:66].[c:5]1([P:6]([c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[c:13]2[c:14]3[c:38]([cH:39][cH:40][cH:41]2)[C:35]([CH3:36])([CH3:37])[c:17]2[c:16]([c:21]([P:22]([c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[cH:20][cH:19][cH:18]2)[O:15]3)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[CH3:1][C:2]([NH:3][c:56]1[cH:55][c:54]([Br:53])[cH:59][c:58]([F:60])[cH:57]1)=[O:4]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 178AcetamideHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1370031,3-Dibromo-5-fluorobenzeneHCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

Product 1

HCID 66774623N-(3-bromo-5-fluorophenyl)acetamide

Sources & evidence

ORD record
ord-ba4517b624e946ffa966df457315316a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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