Toluene → Methyl 2-[6-[[3-[4-(2-ethylsulfanylethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetate

HRID 2319936Notes

Reaction equation

HRID 2319936 reaction equation
[CH2:16]([CH3:17])[S:18][CH2:19][CH2:20][O:21][c:22]1[cH:23][c:24]([CH3:37])[c:25](-[c:29]2[cH:30][c:31]([CH2:35][OH:36])[cH:32][cH:33][cH:34]2)[c:26]([CH3:28])[cH:27]1.[CH2:38]([P:39]([CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH3:50].[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[CH3:76][CH2:77][CH2:78][CH2:79][CH2:80][CH3:81].[N:51]([C:52]([N:53]1[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]1)=[O:59])=[N:60][C:61]([N:62]1[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]1)=[O:68].[OH:1][c:2]1[cH:3][c:4]2[c:5]([cH:14][cH:15]1)[CH:6]([CH2:9][C:10](=[O:11])[O:12][CH3:13])[CH2:7][O:8]2>>[O:1]([c:2]1[cH:3][c:4]2[c:5]([cH:14][cH:15]1)[CH:6]([CH2:9][C:10](=[O:11])[O:12][CH3:13])[CH2:7][O:8]2)[CH2:35][c:31]1[cH:30][c:29](-[c:25]2[c:24]([CH3:37])[cH:23][c:22]([O:21][CH2:20][CH2:19][S:18][CH2:16][CH3:17])[cH:27][c:26]2[CH3:28])[cH:34][cH:33][cH:32]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 8058HexaneHCID 13831TributylphosphineHCID 730421,1'-(Azodicarbonyl)dipiperidineHCID 57345855Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetateHCID 59342614{4'-[2-(Ethylthio)ethoxy]-2',6'-dimethylbiphenyl-3-yl}methanol

Product 1

HCID 66792098Methyl 2-[6-[[3-[4-(2-ethylsulfanylethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetate

Sources & evidence

ORD record
ord-6dc3ca3e09184e6da937c35bf8eafef6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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