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Tetrahydrofuran → Tert-butyl 3-{2-[(3,5-bis-trifluoromethyl-benzyl)-(5'-isopropyl-4,5,2'-trimethoxy-biphenyl-2-ylmethyl)-amino]-pyrimidin-5-yloxy}-propionate

HRID 681988
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HRID 681988 반응식
[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([OH:14])[cH:12][n:13]2)[CH2:15][c:16]2[c:17](-[c:26]3[c:27]([O:35][CH3:36])[cH:28][cH:29][c:30]([CH:32]([CH3:33])[CH3:34])[cH:31]3)[cH:18][c:19]([O:24][CH3:25])[c:20]([O:22][CH3:23])[cH:21]2)[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1)([F:44])[F:45].[O:75]=[C:76]([O:77][CH:78]([CH3:79])[CH3:80])[N:81]=[N:82][C:83]([O:84][CH:85]([CH3:86])[CH3:87])=[O:88].[O:89]1[CH2:90][CH2:91][CH2:92][CH2:93]1.[OH:46][CH2:47][CH2:48][C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55].[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:47][CH2:48][C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[cH:12][n:13]2)[CH2:15][c:16]2[c:17](-[c:26]3[c:27]([O:35][CH3:36])[cH:28][cH:29][c:30]([CH:32]([CH3:33])[CH3:34])[cH:31]3)[cH:18][c:19]([O:24][CH3:25])[c:20]([O:22][CH3:23])[cH:21]2)[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1)([F:44])[F:45]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 16218743tert-Butyl 3-hydroxypropanoateHCID 866269112-[(3,5-Bis-trifluoromethyl-benzyl)-(5'-isopropyl-4,5,2'-trimethoxy-biphenyl-2-ylmethyl)-amino]-pyrimidin-5-ol

생성물 1

HCID 86626910
Tert-butyl 3-{2-[(3,5-bis-trifluoromethyl-benzyl)-(5'-isopropyl-4,5,2'-trimethoxy-biphenyl-2-ylmethyl)-amino]-pyrimidin-5-yloxy}-propionate

출처 및 근거

ORD 기록
ord-c3e814d1beaa404da3f6d37fa54e9290
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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