Tetrahydrofuran → tert-butyl 3-(4-{{[2',6'-dimethyl-4'-(tetrahydro-2H-thiopyran-4-yloxy)biphenyl-3-yl]methyl}[(2-nitrophenyl)sulfonyl]amino}-2-fluorophenyl)propanoate

HRID 148395

Reaction equation

HRID 148395 reaction equation
[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.[O:72]=[C:73]([O:74][CH2:75][CH3:76])[N:77]=[N:78][C:79]([O:80][CH2:81][CH3:82])=[O:83].[O:84]1[CH2:85][CH2:86][CH2:87][CH2:88]1.[S:46]1[CH2:47][CH2:48][CH:49]([OH:52])[CH2:50][CH2:51]1.[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]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][CH:49]4[CH2:48][CH2:47][S:46][CH2:51][CH2:50]4)[cH:32][c:33]3[CH3:34])[cH:25][cH:26][cH:27]2)[cH:7]1

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 576296Tetrahydro-2H-thiopyran-4-olHCID 23157516Tert-butyl 3-(2-fluoro-4-{[(4'-hydroxy-2',6'-dimethylbiphenyl-3-yl)methyl][(2-nitrophenyl)sulfonyl]amino}phenyl)propanoate

Product 1

HCID 23157629tert-butyl 3-(4-{{[2',6'-dimethyl-4'-(tetrahydro-2H-thiopyran-4-yloxy)biphenyl-3-yl]methyl}[(2-nitrophenyl)sulfonyl]amino}-2-fluorophenyl)propanoate

Sources & evidence

ORD record
ord-4ad73b8eb5bf44d782f906e0c1dbe0a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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