Acetate → Ethyl 5-chloro-2-(2,3-difluoro-6-methoxybenzyloxy)-4-nitrocinnamate

HRID 155424Notes

Reaction equation

HRID 155424 reaction equation
[Br:1][c:2]1[cH:3][c:4]([Cl:23])[c:5]([N+:20](=[O:21])[O-:22])[cH:6][c:7]1[O:8][CH2:9][c:10]1[c:11]([F:19])[c:12]([F:18])[cH:13][cH:14][c:15]1[O:16][CH3:17].[C:24]([CH:25]=[CH2:26])(=[O:27])[O:28][CH2:29][CH3:30].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][c:37]1[P:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][c:44]1[CH3:45])[c:46]1[cH:47][cH:48][cH:49][cH:50][c:51]1[CH3:52].[CH3:54][C:55]#[N:56].[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[ClH:53].[O-:58][C:59]([CH3:60])=[O:61].[O-:62][C:63]([CH3:64])=[O:65].[Pd+2:57]>>[c:2]1([CH:26]=[CH:25][C:24](=[O:27])[O:28][CH2:29][CH3:30])[cH:3][c:4]([Cl:23])[c:5]([N+:20](=[O:21])[O-:22])[cH:6][c:7]1[O:8][CH2:9][c:10]1[c:11]([F:19])[c:12]([F:18])[cH:13][cH:14][c:15]1[O:16][CH3:17]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8471TriethylamineHCID 8821Ethyl AcrylateHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 685153834-Bromo-2-chloro-5-(2,3-difluoro-6-methoxybenzyloxy)-1-nitrobenzene

Product 1

HCID 68514028Ethyl 5-chloro-2-(2,3-difluoro-6-methoxybenzyloxy)-4-nitrocinnamate

Sources & evidence

ORD record
ord-4513c35a33d54efd993b97dc97bb69e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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