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HCID 18700310, 화합물 → N-[[3-[3-fluoro-4-[2-(2-fluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

HRID 98016
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HRID 98016 반응식
[F:1][c:2]1[cH:3][c:4]([N:5]2[CH2:6][CH:7]([CH2:8][NH:9][C:10](=[O:11])[CH3:12])[O:13][C:14]2=[O:15])[cH:16][cH:17][c:18]1[N:19]1[CH2:20][CH:21]2[CH:22]([CH2:23][N:24]([CH2:25][CH2:26][OH:27])[CH2:28]2)[CH2:29]1.[F:30][c:31]1[cH:32][c:33]([N:49]2[C:50](=[O:59])[O:51][CH:52]([CH2:54][NH:55][C:56]([CH3:57])=[O:58])[CH2:53]2)[cH:34][cH:35][c:36]1[N:37]1[CH2:38][CH:39]2[CH2:40][N:41]([CH2:45][CH2:46][O:47][CH3:48])[CH2:42][CH:43]2[CH2:44]1.[F:60][c:61]1[cH:62][c:63]([N:64]2[CH2:65][CH:66]([CH2:67][NH:68][C:69](=[O:70])[CH3:71])[O:72][C:73]2=[O:74])[cH:75][cH:76][c:77]1[N:78]1[CH2:79][CH:80]2[CH:81]([CH2:82][N:83]([CH2:84][C:85]#[N:86])[CH2:87]2)[CH2:88]1.[F:89][c:90]1[cH:91][c:92]([N:93]2[CH2:94][CH:95]([CH2:96][NH:97][C:98](=[O:99])[CH3:100])[O:101][C:102]2=[O:103])[cH:104][cH:105][c:106]1[N:107]1[CH2:108][CH:109]2[CH:110]([CH2:111][N:112]([C:113]([O:114][CH3:115])=[O:116])[CH2:117]2)[CH2:118]1>>[F:1][CH2:46][CH2:45][N:41]1[CH2:40][CH:39]2[CH2:38][N:37]([c:36]3[c:31]([F:30])[cH:32][c:33]([N:49]4[C:50](=[O:59])[O:51][CH:52]([CH2:54][NH:55][C:56]([CH3:57])=[O:58])[CH2:53]4)[cH:34][cH:35]3)[CH2:44][CH:43]2[CH2:42]1
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반응물 4

HCID 18700310HCID 18700310, 화합물HCID 18700318N-[[3-[3-fluoro-4-[2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamideHCID 18700374N-[[3-[4-[2-(cyanomethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamideHCID 18700377HCID 18700377, 화합물

생성물 1

HCID 18700322
N-[[3-[3-fluoro-4-[2-(2-fluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

출처 및 근거

ORD 기록
ord-84a568d611294728aeca8fd66dddf38c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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