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Tetrahydrofuran → 3-Methyl-5-[3-[4-(5-difluoromethyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy]propyl]-1,2,4-thiadiazole

HRID 296563
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HRID 296563 반응식
[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[F:11][CH:12]([c:13]1[n:14][c:15](-[c:18]2[cH:19][c:20]([CH3:26])[c:21]([OH:25])[c:22]([CH3:24])[cH:23]2)[n:16][o:17]1)[F:27].[O:28]=[C:29]([O:30][CH2:31][CH3:32])[N:33]=[N:34][C:35]([O:36][CH2:37][CH3:38])=[O:39].[OH:1][CH2:2][CH2:3][CH2:4][c:5]1[n:6][c:7]([CH3:10])[n:8][s:9]1.[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[O:1]([CH2:2][CH2:3][CH2:4][c:5]1[n:6][c:7]([CH3:10])[n:8][s:9]1)[c:21]1[c:20]([CH3:26])[cH:19][c:18](-[c:15]2[n:14][c:13]([CH:12]([F:11])[F:27])[o:17][n:16]2)[cH:23][c:22]1[CH3:24]
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 5

HCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 189678815-(3-Hydroxypropyl)-3-methyl-1,2,4-thiadiazoleHCID 1355842214-(5-Difluoromethyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenol

생성물 1

HCID 18967888
3-Methyl-5-[3-[4-(5-difluoromethyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy]propyl]-1,2,4-thiadiazole

출처 및 근거

ORD 기록
ord-e783b0b5755047418efbba34f5be5317
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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