Bicarbonate Ion → Ethyl 3-[4-({4'-[2-(ethylamino)ethoxy]-2',6'-dimethylbiphenyl-3-yl}methoxy)-2-fluorophenyl]propanoate

HRID 1235924Notes

Reaction equation

HRID 1235924 reaction equation
[C:69](=[O:70])([O-:71])[OH:72].[CH2:32]([CH3:33])[NH:34][CH2:35][CH2:36][OH:37].[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].[CH3:79][CH2:80][O:81][C:82](=[O:83])[CH3:84].[CH3:85][CH2:86][O:87][CH2:88][CH3:89].[F:1][c:2]1[c:3]([CH2:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][c:12](-[c:16]3[c:17]([CH3:24])[cH:18][c:19]([OH:23])[cH:20][c:21]3[CH3:22])[cH:13][cH:14][cH:15]2)[cH:7]1.[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].[Na+:73].[O:74]1[CH2:75][CH2:76][CH2:77][CH2:78]1>>[F:1][c:2]1[c:3]([CH2:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][c:12](-[c:16]3[c:17]([CH3:24])[cH:18][c:19]([O:23][CH2:36][CH2:35][NH:34][CH2:32][CH3:33])[cH:20][c:21]3[CH3:22])[cH:13][cH:14][cH:15]2)[cH:7]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 80722-(Ethylamino)ethanolHCID 8857Ethyl AcetateHCID 13831TributylphosphineHCID 730421,1'-(Azodicarbonyl)dipiperidineHCID 58903128Ethyl 3-{2-fluoro-4-[(4'-hydroxy-2',6'-dimethylbiphenyl-3-yl)methoxy]phenyl}propanoate

Product 1

HCID 58903118Ethyl 3-[4-({4'-[2-(ethylamino)ethoxy]-2',6'-dimethylbiphenyl-3-yl}methoxy)-2-fluorophenyl]propanoate

Sources & evidence

ORD record
ord-f9feb00912904ad3b6e9627c4ebed00a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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