Acetate → 2-Cyclopropyl-7-(1-hydroxymethylvinyl)-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile

HRID 2122803Notes

Reaction equation

HRID 2122803 reaction equation
[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[c:8](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:9]([CH3:21])[c:10]([C:19]#[N:20])[c:11]2[n:12][c:13]([CH:16]3[CH2:17][CH2:18]3)[o:14][c:15]12)(=[O:28])=[O:29].[O-:47][C:48]([CH3:49])=[O:50].[O-:51][C:52]([CH3:53])=[O:54].[OH:37][CH2:38][CH:39]=[CH2:40].[Pd+2:46]>>[c:7]1([C:39]([CH2:38][OH:37])=[CH2:40])[c:8](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:9]([CH3:21])[c:10]([C:19]#[N:20])[c:11]2[n:12][c:13]([CH:16]3[CH2:17][CH2:18]3)[o:14][c:15]12

Participants

7

Reactant 6

HCID 175Acetate2×HCID 6228DimethylformamideHCID 7858Allyl AlcoholHCID 8471TriethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 866308844-Cyano-2-cyclopropyl-5-methyl-6-phenyl-1,3-benzoxazol-7-yl trifluoromethanesulfonate

Product 1

HCID 685846992-Cyclopropyl-7-(1-hydroxymethylvinyl)-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile

Sources & evidence

ORD record
ord-005ac22f50664d7096068b77b5d42c73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…