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Dimethylformamide → 5-Cyano-6-(2-nitro-5-phenoxy-phenyl)-4-(tetrahydro-pyran-4-yl)-hex-5-enoic acid cyclohexyl-methyl-amide

HRID 314092
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인쇄 미리보기

반응식

HRID 314092 반응식
[C:1](#[N:2])[C:3]([CH:4]([CH2:5][CH2:6][C:7](=[O:8])[OH:9])[CH:10]1[CH2:11][CH2:12][O:13][CH2:14][CH2:15]1)=[CH:16][c:17]1[c:18]([N+:30](=[O:31])[O-:32])[cH:19][cH:20][c:21]([O:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:22]1.[CH3:33][NH:34][CH:35]1[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1.[CH3:79][CH2:80][O:81][C:82](=[O:83])[CH3:84].[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[C:1](#[N:2])[C:3]([CH:4]([CH2:5][CH2:6][C:7](=[O:9])[N:34]([CH3:33])[CH:35]1[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1)[CH:10]1[CH2:11][CH2:12][O:13][CH2:14][CH2:15]1)=[CH:16][c:17]1[c:18]([N+:30](=[O:31])[O-:32])[cH:19][cH:20][c:21]([O:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:22]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 6228DimethylformamideHCID 7514N-MethylcyclohexylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 672694525-Cyano-6-(2-nitro-5-phenoxy-phenyl)-4-(tetrahydro-pyran-4-yl)-hex-5-enoic acid

생성물 1

HCID 672693405-Cyano-6-(2-nitro-5-phenoxy-phenyl)-4-(tetrahydro-pyran-4-yl)-hex-5-enoic acid cyclohexyl-methyl-amide

출처 및 근거

ORD 기록
ord-0db7928d39f2497089dd7cb2c2e8b025
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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