Acetate → 9-[4'-(benzoxazol-2-yl)biphenyl-4-yl]-9H-carbazole

HRID 2327336Notes

Reaction equation

HRID 2327336 reaction equation
[C:61](=[O:62])([O-:63])[O-:64].[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[CH3:83][O:84][CH2:85][CH2:86][O:87][CH3:88].[I:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([n:12]2)[cH:13][cH:14][cH:15][cH:16]3)[cH:6][cH:7]1.[K+:65].[K+:66].[O-:68][C:69]([CH3:70])=[O:71].[O-:72][C:73]([CH3:74])=[O:75].[Pd+2:67].[c:39]1([CH3:40])[cH:41][cH:42][cH:43][cH:44][c:45]1[P:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][c:52]1[CH3:53])[c:54]1[cH:55][cH:56][cH:57][cH:58][c:59]1[CH3:60].[cH:17]1[cH:18][cH:19][cH:20][c:21]2[c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[n:28](-[c:30]3[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]3)[c:29]12>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30](-[n:28]3[c:27]4[c:22]([c:21]5[cH:20][cH:19][cH:18][cH:17][c:29]53)[cH:23][cH:24][cH:25][cH:26]4)[cH:35][cH:34]2)[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([n:12]2)[cH:13][cH:14][cH:15][cH:16]3)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 1140TolueneHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 28294142-(4-Iodophenyl)benzoxazoleHCID 231208274-(9H-Carbazol-9-yl)phenylboronic Acid

Product 1

HCID 584351689-[4'-(benzoxazol-2-yl)biphenyl-4-yl]-9H-carbazole

Sources & evidence

ORD record
ord-45dcfca8bfa24706bcc8def535141450
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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