Hydrochloric Acid → 6-(4-Hydroxy-2-methyl-phenyl)-1-isopropyl-2-methyl-1H-indole-3-carboxylic acid methyl ester

HRID 1575920Notes

Reaction equation

HRID 1575920 reaction equation
[CH3:19][c:20]1[cH:21][c:22]([OH:35])[cH:23][cH:24][c:25]1[B:26]1[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH3:18])[n:7]([CH:15]([CH3:16])[CH3:17])[c:8]2[cH:9][c:10]([Cl:14])[cH:11][cH:12][c:13]12.[CH:44]1([P:45]([CH:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[CH:52]2[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]2)[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]1.[ClH:63].[K+:41].[K+:42].[K+:43].[O:103]=[C:104]([CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1)[CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1.[O:121]1[CH2:122][CH2:123][O:124][CH2:125][CH2:126]1.[O:67]=[C:68]([CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[OH2:64].[P:36]([O-:37])([O-:38])([O-:39])=[O:40].[Pd:65].[Pd:66]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH3:18])[n:7]([CH:15]([CH3:16])[CH3:17])[c:8]2[cH:9][c:10](-[c:25]3[c:20]([CH3:19])[cH:21][c:22]([OH:35])[cH:23][cH:24]3)[cH:11][cH:12][c:13]12

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 75806TricyclohexylphosphineHCID 95417Dibenzylidene acetone3×HCID 574432723-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenolHCID 672714736-Chloro-1-isopropyl-2-methyl-1H-indole-3-carboxylic acid methyl ester

Product 1

HCID 672718996-(4-Hydroxy-2-methyl-phenyl)-1-isopropyl-2-methyl-1H-indole-3-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-abeb1ac648cc4d41a03c790f594e0666
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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