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Water → (-)-2-(4-(4-Octyloxy-5,5,5-trifluoro-1-pentyl)phenyl)-5-decyloxypyrimidine

HRID 140378
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HRID 140378 반응식
[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[KH:33].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH2:53].[OH:1][CH:2]([CH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][cH:14][c:15]([O:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[cH:16][n:17]2)[cH:10][cH:11]1)[C:29]([F:30])([F:31])[F:32].[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([O:40][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51])(=[O:41])=[O:42])[cH:43][cH:52]1>>[O:1]([CH:2]([CH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][cH:14][c:15]([O:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[cH:16][n:17]2)[cH:10][cH:11]1)[C:29]([F:30])([F:31])[F:32])[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 962WaterHCID 1140TolueneHCID 8028TetrahydrofuranHCID 599296n-Octyl p-ToluenesulfonateHCID 19694914(-)-2-(4-(4-Hydroxy-5,5,5-trifluoro-1-pentyl)phenyl)-5-decyloxypyrimidineHCID 178506623HCID 178506623, 화합물

생성물 1

HCID 19435043
(-)-2-(4-(4-Octyloxy-5,5,5-trifluoro-1-pentyl)phenyl)-5-decyloxypyrimidine

출처 및 근거

ORD 기록
ord-71bd4c37e6a944859cf434391f2b3b35
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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