Acetate → methyl 3-(4-(2,3-dihydro-1H-inden-2-yloxy)-2-cyano-5-(1-methyl-1H-indazol-5-yl)phenyl)propanoate

HRID 87009Notes

Reaction equation

HRID 87009 reaction equation
[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH2:1]1[CH:2]([O:10][c:11]2[cH:12][c:13]([O:33][S:34]([C:35]([F:36])([F:37])[F:38])(=[O:39])=[O:40])[c:14]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH3:32])[cH:15][c:16]2-[c:17]2[cH:18][c:19]3[cH:20][n:21][n:22]([CH3:26])[c:23]3[cH:24][cH:25]2)[CH2:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]21.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:54][N:55]([CH3:56])[C:57](=[O:58])[CH3:59].[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[OH2:47].[Pd+2:64]>>[CH2:1]1[CH:2]([O:10][c:11]2[cH:12][c:13]([C:54]#[N:55])[c:14]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH3:32])[cH:15][c:16]2-[c:17]2[cH:18][c:19]3[cH:20][n:21][n:22]([CH3:26])[c:23]3[cH:24][cH:25]2)[CH2:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]21

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 86640868Methyl 3-(4-(2,3-dihydro-1H-inden-2-yloxy)-5-(1-methyl-1H-indazol-5-yl)-2-(trifluoromethylsulfonyloxy)phenyl)propanoate

Product 1

HCID 66877829methyl 3-(4-(2,3-dihydro-1H-inden-2-yloxy)-2-cyano-5-(1-methyl-1H-indazol-5-yl)phenyl)propanoate

Sources & evidence

ORD record
ord-2c9a31173d794a42bd2ef2bbbf8ac464
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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