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Acetonitrile → 2,2,2-Trichloroethyl 1-[3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[[3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]diazinane-3-carboxylate

HRID 820611
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HRID 820611 반응식
[C:62]([CH3:63])([CH3:64])([CH3:65])[O:66][C:67](=[O:68])[NH:69][CH:70]([C:71]([OH:72])=[O:73])[CH2:74][c:75]1[cH:76][cH:77][c:78]([O:81][CH3:82])[cH:79][cH:80]1.[CH3:1][Si:2]([O:3][S:4]([C:5]([F:6])([F:7])[F:8])(=[O:9])=[O:10])([CH3:11])[CH3:12].[CH3:86][C:87]#[N:88].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[Cl:13][C:14]([CH2:15][O:16][C:17](=[O:18])[CH:19]1[NH:20][N:21]([C:25]([CH:26]([CH2:27][c:28]2[cH:29][c:30]([O:34][Si:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])[cH:31][cH:32][cH:33]2)[NH:42][C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:50])[CH2:22][CH2:23][CH2:24]1)([Cl:51])[Cl:52].[Cl:83][CH2:84][Cl:85]>>[Cl:13][C:14]([CH2:15][O:16][C:17](=[O:18])[CH:19]1[NH:20][N:21]([C:25]([CH:26]([CH2:27][c:28]2[cH:29][c:30]([O:34][Si:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])[cH:31][cH:32][cH:33]2)[NH:42][C:43](=[O:44])[CH:70]([NH:69][C:67]([O:66][C:62]([CH3:63])([CH3:64])[CH3:65])=[O:68])[CH2:74][c:75]2[cH:76][cH:77][c:78]([O:81][CH3:82])[cH:79][cH:80]2)=[O:50])[CH2:22][CH2:23][CH2:24]1)([Cl:51])[Cl:52]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 65367Trimethylsilyl triflateHCID 81531DiisopropylethylamineHCID 41264752-((tert-Butoxycarbonyl)amino)-3-(4-methoxyphenyl)propanoic acidHCID 712252902,2,2-Trichloroethyl 1-[3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate

생성물 1

HCID 712254152,2,2-Trichloroethyl 1-[3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[[3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]diazinane-3-carboxylate

출처 및 근거

ORD 기록
ord-36a49a227d4a4ade90debd11ea25246a
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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