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Tetrahydrofuran → tert-butyl N-[6-[[(5-ethyl-2-fluoro-4-hydroxyphenyl)-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

HRID 194618
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HRID 194618 반응식
[C:1]([Si:2]([CH3:3])([CH3:4])[O:6][c:7]1[cH:8][c:9]([F:54])[c:10]([CH:15]([NH:16][c:17]2[cH:18][c:19]3[cH:20][cH:21][n:22][c:23]([N:27]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[c:24]3[cH:25][cH:26]2)[c:42]2[n:43]([CH3:53])[n:44][c:45](-[c:47]3[cH:48][cH:49][cH:50][cH:51][cH:52]3)[n:46]2)[cH:11][c:12]1[CH2:13][CH3:14])([CH3:5])([CH3:55])[CH3:56].[CH2:58]([N+:59]([CH2:60][CH2:61][CH2:62][CH3:63])([CH2:64][CH2:65][CH2:66][CH3:67])[CH2:68][CH2:69][CH2:70][CH3:71])[CH2:72][CH2:73][CH3:74].[CH2:75]1[O:76][CH2:77][CH2:78][CH2:79]1.[CH3:80][CH2:81][O:82][C:83]([CH3:84])=[O:85].[F-:57]>>[OH:6][c:7]1[cH:8][c:9]([F:54])[c:10]([CH:15]([NH:16][c:17]2[cH:18][c:19]3[cH:20][cH:21][n:22][c:23]([N:27]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[c:24]3[cH:25][cH:26]2)[c:42]2[n:43]([CH3:53])[n:44][c:45](-[c:47]3[cH:48][cH:49][cH:50][cH:51][cH:52]3)[n:46]2)[cH:11][c:12]1[CH2:13][CH3:14]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 57803686N6-((4-(tert-butyldimethylsilyloxy)-5-ethyl-2-fluorophenyl)(2-methyl-5-phenyl-2H-1,2,4-triazol-3-yl)methyl)-N1,N1-di-(tert-butoxycarbonyl)isoquinoline-1,6-diamine

생성물 1

HCID 57803683
tert-butyl N-[6-[[(5-ethyl-2-fluoro-4-hydroxyphenyl)-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

출처 및 근거

ORD 기록
ord-775bfc744c0a43eaa10254b8462124ce
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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