Tetrahydrofuran → ethyl 3-(4-{{4-[(3,5-diphenyl-1H-pyrazol-1-yl)methyl]-3-isopropoxybenzyl}[(2-nitrophenyl)sulfonyl]amino}-2,6-difluorophenyl)propanoate

HRID 1205472Notes

Reaction equation

HRID 1205472 reaction equation
[F:1][c:2]1[c:3]([CH2:22][CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28])[c:4]([F:21])[cH:5][c:6]([NH: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)[cH:7]1.[O:78]=[C:79]([O:80][CH2:81][CH3:82])[N:83]=[N:84][C:85]([O:86][CH2:87][CH3:88])=[O:89].[O:90]1[CH2:91][CH2:92][CH2:93][CH2:94]1.[c:29]1(-[c:35]2[n:36][n:37]([CH2:46][c:47]3[c:48]([O:55][CH:56]([CH3:57])[CH3:58])[cH:49][c:50]([CH2:53][OH:54])[cH:51][cH:52]3)[c:38](-[c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[cH:39]2)[cH:30][cH:31][cH:32][cH:33][cH:34]1.[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[F:1][c:2]1[c:3]([CH2:22][CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28])[c:4]([F:21])[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)[CH2:53][c:50]2[cH:49][c:48]([O:55][CH:56]([CH3:57])[CH3:58])[c:47]([CH2:46][n:37]3[n:36][c:35](-[c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[cH:39][c:38]3-[c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[cH:52][cH:51]2)[cH:7]1

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 23157278HCID 23157278, compoundHCID 23157461HCID 23157461, compound

Product 1

HCID 23157336ethyl 3-(4-{{4-[(3,5-diphenyl-1H-pyrazol-1-yl)methyl]-3-isopropoxybenzyl}[(2-nitrophenyl)sulfonyl]amino}-2,6-difluorophenyl)propanoate

Sources & evidence

ORD record
ord-3d85b0083a104ce6aa67f7f4c01044ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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