Acetate → 4-(2-(1,2-Dihydro-3-methyl-1-oxobenzo[f]quinazolin-9-yl)vinyl)benzoic acid

HRID 669540Notes

Reaction equation

HRID 669540 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]3[c:8](=[O:16])[nH:9][c:10]([CH3:15])[n:11][c:12]3[cH:13][cH:14]2)[cH:17]1.[C:58]([O-:59])(=[O:60])[CH3:61].[C:63]([O-:64])(=[O:65])[CH3:66].[CH3:51][N:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[CH:18](=[CH2:19])[c:20]1[cH:21][cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28]1.[Pd+2:62].[c:29]1([CH3:30])[cH:31][cH:32][cH:33][cH:34][c:35]1[P:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][c:42]1[CH3:43])[c:44]1[cH:45][cH:46][cH:47][cH:48][c:49]1[CH3:50]>>[c:2]1([CH:19]=[CH:18][c:20]2[cH:21][cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28]2)[cH:3][cH:4][c:5]2[c:6]([c:7]3[c:8](=[O:16])[nH:9][c:10]([CH3:15])[n:11][c:12]3[cH:13][cH:14]2)[cH:17]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 79724-MethylmorpholineHCID 140984-Vinylbenzoic acidHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1358381559-bromo-3-methylbenzo[f]quinazolin-1(2H)-one

Product 1

HCID 1359905654-(2-(1,2-Dihydro-3-methyl-1-oxobenzo[f]quinazolin-9-yl)vinyl)benzoic acid

Sources & evidence

ORD record
ord-229beeeda85847b5b24304287bd367bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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