Acetate → (3-fluoro-6H-dibenzo[b,e]oxepin-11-ylidene)-acetic acid ethyl ester

HRID 1565381Notes

Reaction equation

HRID 1565381 reaction equation
[Br-:29].[CH2:1]([CH3:2])[O:3][C:4]([CH:5]=[CH:6][c:7]1[c:8]([CH2:13][O:14][c:15]2[c:16]([Br:22])[cH:17][cH:18][c:19]([F:21])[cH:20]2)[cH:9][cH:10][cH:11][cH:12]1)=[O:23].[CH2:30]([N+:31]([CH2:32][CH2:33][CH2:34][CH3:35])([CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH3:46].[CH3:25][C:26](=[O:27])[O-:28].[CH3:47][N:48]1[CH2:49][CH2:50][CH2:51][C:52]1=[O:53].[Na+:24].[O-:56][C:57]([CH3:58])=[O:59].[O-:60][C:61]([CH3:62])=[O:63].[OH2:54].[Pd+2:55]>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]=[C:6]1[c:7]2[c:8]([cH:9][cH:10][cH:11][cH:12]2)[CH2:13][O:14][c:15]2[c:16]1[cH:17][cH:18][c:19]([F:21])[cH:20]2)=[O:23]

Participants

9

Reactant 8

HCID 175Acetate3×HCID 259Bromide ionHCID 923Sodium ionHCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 16028TetrabutylammoniumHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 671334433-[2-(2-Bromo-5-fluoro-phenoxymethyl)-phenyl]-acrylic acid ethyl ester

Product 1

HCID 67134827(3-fluoro-6H-dibenzo[b,e]oxepin-11-ylidene)-acetic acid ethyl ester

Sources & evidence

ORD record
ord-a0f51e7dde294972865a1a648623464d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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