Tetrahydrofuran → Tert-butyl 3-(4-{({4'-[2-(ethylamino)ethoxy]-2',6'-dimethylbiphenyl-3-yl}methyl)[(2-nitrophenyl)sulfonyl]amino}-2-fluorophenyl)propanoate

HRID 168530

Reaction equation

HRID 168530 reaction equation
[CH2:46]([CH3:47])[NH:48][CH2:49][CH2:50][OH:51].[CH2:52]([P:53]([CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH3:64].[F:1][c:2]1[c:3]([CH2:37][CH2:38][C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[cH:4][cH:5][c:6]([N:8]([S:9](=[O:10])(=[O:11])[c:12]2[c:13]([N+:18](=[O:19])[O-:20])[cH:14][cH:15][cH:16][cH:17]2)[CH2:21][c:22]2[cH:23][c:24](-[c:28]3[c:29]([CH3:36])[cH:30][c:31]([OH:35])[cH:32][c:33]3[CH3:34])[cH:25][cH:26][cH:27]2)[cH:7]1.[N:65]([C:66]([N:67]1[CH2:68][CH2:69][CH2:70][CH2:71][CH2:72]1)=[O:73])=[N:74][C:75]([N:76]1[CH2:77][CH2:78][CH2:79][CH2:80][CH2:81]1)=[O:82].[O:83]1[CH2:84][CH2:85][CH2:86][CH2:87]1>>[F:1][c:2]1[c:3]([CH2:37][CH2:38][C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[cH:4][cH:5][c:6]([N:8]([S:9](=[O:10])(=[O:11])[c:12]2[c:13]([N+:18](=[O:19])[O-:20])[cH:14][cH:15][cH:16][cH:17]2)[CH2:21][c:22]2[cH:23][c:24](-[c:28]3[c:29]([CH3:36])[cH:30][c:31]([O:35][CH2:50][CH2:49][NH:48][CH2:46][CH3:47])[cH:32][c:33]3[CH3:34])[cH:25][cH:26][cH:27]2)[cH:7]1

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 80722-(Ethylamino)ethanolHCID 13831TributylphosphineHCID 730421,1'-(Azodicarbonyl)dipiperidineHCID 23157516Tert-butyl 3-(2-fluoro-4-{[(4'-hydroxy-2',6'-dimethylbiphenyl-3-yl)methyl][(2-nitrophenyl)sulfonyl]amino}phenyl)propanoate

Product 1

HCID 23157592Tert-butyl 3-(4-{({4'-[2-(ethylamino)ethoxy]-2',6'-dimethylbiphenyl-3-yl}methyl)[(2-nitrophenyl)sulfonyl]amino}-2-fluorophenyl)propanoate

Sources & evidence

ORD record
ord-67b2f6999e794f2eb70452eb258a8b3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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