Acetate → Ethyl 6-chloro-7-(4-(4-chloro-2-cyclopropylphenethylcarbamoyl)phenoxy)chroman-4-carboxylate

HRID 1117912Notes

Reaction equation

HRID 1117912 reaction equation
[Br:1][c:2]1[c:3]([CH2:4][CH2:5][NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12]([O:13][c:14]3[c:15]([Cl:29])[cH:16][c:17]4[c:22]([cH:23]3)[O:21][CH2:20][CH2:19][CH:18]4[C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:30][cH:31]2)[cH:32][cH:33][c:34]([Cl:36])[cH:35]1.[CH3:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[CH:45]1([P:46]([CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]2)[CH:58]2[CH2:49][CH2:48][CH2:47][CH2:62][CH2:63]2)[CH2:56][CH2:57][CH2:59][CH2:60][CH2:61]1.[CH:64]1([B:65]([OH:66])[OH:67])[CH2:68][CH2:69]1.[K+:42].[K+:43].[K+:44].[O-:78][C:79]([CH3:80])=[O:81].[O-:82][C:83]([CH3:84])=[O:85].[OH2:86].[P:37]([O-:38])([O-:39])([O-:40])=[O:41].[Pd+2:77]>>[c:2]1([CH:62]2[CH2:58][CH2:63]2)[c:3]([CH2:4][CH2:5][NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12]([O:13][c:14]3[c:15]([Cl:29])[cH:16][c:17]4[c:22]([cH:23]3)[O:21][CH2:20][CH2:19][CH:18]4[C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:30][cH:31]2)[cH:32][cH:33][c:34]([Cl:36])[cH:35]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 67080384Ethyl 7-(4-(2-bromo-4-chlorophenethylcarbamoyl)phenoxy)-6-chlorochroman-4-carboxylate

Product 1

HCID 67080987Ethyl 6-chloro-7-(4-(4-chloro-2-cyclopropylphenethylcarbamoyl)phenoxy)chroman-4-carboxylate

Sources & evidence

ORD record
ord-171916c4f07f480c8bfb713c41225758
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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