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Triphenylphosphine → 3-fluoro-2-octyl-5-[4-[(3-pentyloxiran-2-yl)methoxy]phenyl]pyrazine

HRID 695310
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반응식

HRID 695310 반응식
[CH2:54]([CH2:55][CH2:56][CH2:57][CH3:58])[CH:59]1[CH:60]([CH2:62][OH:63])[O:61]1.[F:32][c:33]1[n:34][c:35](-[c:47]2[cH:48][cH:49][c:50]([OH:53])[cH:51][cH:52]2)[cH:36][n:37][c:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[O:20]=[C:21]([O:22][CH2:23][CH3:24])[N:25]=[N:26][C:27]([O:28][CH2:29][CH3:30])=[O:31].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[F:32][c:33]1[n:34][c:35](-[c:47]2[cH:48][cH:49][c:50]([O:53][CH2:62][CH:60]3[CH:59]([CH2:54][CH2:55][CH2:56][CH2:57][CH3:58])[O:61]3)[cH:51][cH:52]2)[cH:36][n:37][c:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 11480511Oxiranemethanol, 3-pentyl-HCID 1355744622-Fluoro-3-octyl-6-(4-hydroxyphenyl)pyrazine

생성물 1

HCID 1784427093-fluoro-2-octyl-5-[4-[(3-pentyloxiran-2-yl)methoxy]phenyl]pyrazine

출처 및 근거

ORD 기록
ord-a1d83f2bcca740f8add379d20ed64bbd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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