Acetate → ethyl 4-(1-ethoxy-1,3-dioxobutan-2-yl)-7-o-tolyl-1H-indole-2-carboxylate

HRID 2324008Notes

Reaction equation

HRID 2324008 reaction equation
[C:32]([P:33]([C:34]([CH3:35])([CH3:36])[CH3:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1-[c:44]1[cH:45][cH:46][cH:47][cH:48][c:49]1[CH3:50])([CH3:51])([CH3:52])[CH3:53].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[Cl:1][c:2]1[c:3]2[cH:4][c:5]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[nH:6][c:7]2[c:8](-[c:11]2[c:12]([CH3:17])[cH:13][cH:14][cH:15][cH:16]2)[cH:9][cH:10]1.[K+:59].[K+:60].[K+:61].[O-:70][C:71]([CH3:72])=[O:73].[O-:74][C:75]([CH3:76])=[O:77].[O:23]=[C:24]([CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[CH3:31].[P:54]([O-:55])([O-:56])([O-:57])=[O:58].[Pd+2:69]>>[c:2]1([CH:25]([C:24](=[O:23])[CH3:31])[C:26](=[O:27])[O:28][CH2:29][CH3:30])[c:3]2[cH:4][c:5]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[nH:6][c:7]2[c:8](-[c:11]2[c:12]([CH3:17])[cH:13][cH:14][cH:15][cH:16]2)[cH:9][cH:10]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 1061PhosphateHCID 1140TolueneHCID 8868Ethyl AcetoacetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27349372-(Di-tert-butylphosphino)-2'-methyl-1,1'-biphenylHCID 68936971ethyl 4-chloro-7-o-tolyl-1H-indole-2-carboxylate

Product 1

HCID 68940072ethyl 4-(1-ethoxy-1,3-dioxobutan-2-yl)-7-o-tolyl-1H-indole-2-carboxylate

Sources & evidence

ORD record
ord-cf41d557795e44818a908194305194df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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