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Tetrahydrofuran → Ethyl 3-[{[4-({cyclohexyl[3-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-2-yl]methyl}amino)phenyl]carbonyl}(methyl)amino]propanoate

HRID 1145878
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HRID 1145878 반응식
[CH2:45]([P:46]([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH3:57].[CH:1]1([CH:7]([c:8]2[o:9][c:10]3[c:11]([c:12]2[CH3:13])[cH:14][c:15]([OH:18])[cH:16][cH:17]3)[NH:19][c:20]2[cH:21][cH:22][c:23]([C:26](=[O:27])[N:28]([CH2:29][CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH3:36])[cH:24][cH:25]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[N:58]([C:59]([N:60]1[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]1)=[O:66])=[N:67][C:68]([N:69]1[CH2:70][CH2:71][CH2:72][CH2:73][CH2:74]1)=[O:75].[O:76]1[CH2:77][CH2:78][CH2:79][CH2:80]1.[n:37]1[c:38]([CH2:43][OH:44])[cH:39][cH:40][cH:41][cH:42]1>>[CH:1]1([CH:7]([c:8]2[o:9][c:10]3[c:11]([c:12]2[CH3:13])[cH:14][c:15]([O:18][CH2:43][c:38]2[n:37][cH:42][cH:41][cH:40][cH:39]2)[cH:16][cH:17]3)[NH:19][c:20]2[cH:21][cH:22][c:23]([C:26](=[O:27])[N:28]([CH2:29][CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH3:36])[cH:24][cH:25]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
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반응물 5

HCID 8028TetrahydrofuranHCID 11474PiconolHCID 13831TributylphosphineHCID 730421,1'-(Azodicarbonyl)dipiperidineHCID 66777718HCID 66777718, 화합물

생성물 1

HCID 66778018Ethyl 3-[{[4-({cyclohexyl[3-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-2-yl]methyl}amino)phenyl]carbonyl}(methyl)amino]propanoate

출처 및 근거

ORD 기록
ord-d24b57cbfac04a5d862c22b5f605846e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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