Acetate → 4'-(4-Cyclopropyl-2-ethoxy-5-formylimidazol-1-ylmethyl)-3'-fluoro-biphenyl-2-carboxylic acid t-butyl ester

HRID 1220937Notes

Reaction equation

HRID 1220937 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9](-[c:14]2[cH:15][c:16]([F:32])[c:17]([CH2:20][n:21]3[c:22]([O:29][CH2:30][CH3:31])[n:23][c:24]([Br:28])[c:25]3[CH:26]=[O:27])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1.[C:54](=[O:55])([O-:56])[O-:57].[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH:33]1([B:36]([OH:37])[OH:38])[CH2:34][CH2:35]1.[K+:51].[K+:52].[K+:53].[K+:58].[K+:59].[OH2:69].[P:46]([O-:47])([O-:48])([O-:49])=[O:50].[Pd+2:64]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9](-[c:14]2[cH:15][c:16]([F:32])[c:17]([CH2:20][n:21]3[c:22]([O:29][CH2:30][CH3:31])[n:23][c:24]([CH:33]4[CH2:34][CH2:35]4)[c:25]3[CH:26]=[O:27])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation5×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 510415724'-(4-Bromo-2-ethoxy-5-formylimidazol-1-ylmethyl)-3'-fluorobiphenyl-2-carboxylic acid t-butyl ester

Product 1

HCID 592839094'-(4-Cyclopropyl-2-ethoxy-5-formylimidazol-1-ylmethyl)-3'-fluoro-biphenyl-2-carboxylic acid t-butyl ester

Sources & evidence

ORD record
ord-2074f482e5a34bc0b8e3889fb0e53b13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…