Tetrahydrofuran → Tert-butyl 3-(4-{({2',6'-dimethyl-4'-[2-(2-oxopyrrolidin-1-yl)ethoxy]biphenyl-3-yl}methyl)[(2-nitrophenyl)sulfonyl]amino}-2-fluorophenyl)propanoate

HRID 154904

반응식

HRID 154904 반응식
[CH2:55]([P:56]([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH3:67].[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:68]([C:69]([N:70]1[CH2:71][CH2:72][CH2:73][CH2:74][CH2:75]1)=[O:76])=[N:77][C:78]([N:79]1[CH2:80][CH2:81][CH2:82][CH2:83][CH2:84]1)=[O:85].[O:86]1[CH2:87][CH2:88][CH2:89][CH2:90]1.[OH:46][CH2:47][CH2:48][N:49]1[C:50](=[O:54])[CH2:51][CH2:52][CH2:53]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][CH2:47][CH2:48][N:49]4[C:50](=[O:54])[CH2:51][CH2:52][CH2:53]4)[cH:32][c:33]3[CH3:34])[cH:25][cH:26][cH:27]2)[cH:7]1

참가 물질

6

반응물 5

HCID 8028TetrahydrofuranHCID 13831TributylphosphineHCID 730421,1'-(Azodicarbonyl)dipiperidineHCID 769801-(2-Hydroxyethyl)-2-pyrrolidinoneHCID 23157516Tert-butyl 3-(2-fluoro-4-{[(4'-hydroxy-2',6'-dimethylbiphenyl-3-yl)methyl][(2-nitrophenyl)sulfonyl]amino}phenyl)propanoate

생성물 1

HCID 23157466Tert-butyl 3-(4-{({2',6'-dimethyl-4'-[2-(2-oxopyrrolidin-1-yl)ethoxy]biphenyl-3-yl}methyl)[(2-nitrophenyl)sulfonyl]amino}-2-fluorophenyl)propanoate

출처 및 근거

ORD 기록
ord-315444757bc9478788c96c87de51c2f7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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