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Tetrahydrofuran → N,N-diethyl-4-[3-[3-ethyl-5-methyl-4-(oxiran-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-6-methylpyridin-2-amine

HRID 692900
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HRID 692900 반응식
[CH2:1]([CH3:2])[N:3]([c:4]1[n:5][c:6]([CH3:25])[cH:7][c:8](-[c:10]2[n:11][c:12](-[c:15]3[cH:16][c:17]([CH2:23][CH3:24])[c:18]([OH:22])[c:19]([CH3:21])[cH:20]3)[n:13][o:14]2)[cH:9]1)[CH2:26][CH3:27].[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH:47]1([CH2:48][OH:49])[CH2:50][O:51]1.[O:52]=[C:53]([O:54][CH2:55][CH3:56])[N:57]=[N:58][C:59]([O:60][CH2:61][CH3:62])=[O:63].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[CH2:1]([CH3:2])[N:3]([c:4]1[n:5][c:6]([CH3:25])[cH:7][c:8](-[c:10]2[n:11][c:12](-[c:15]3[cH:16][c:17]([CH2:23][CH3:24])[c:18]([O:22][CH2:48][CH:47]4[CH2:50][O:51]4)[c:19]([CH3:21])[cH:20]3)[n:13][o:14]2)[cH:9]1)[CH2:26][CH3:27]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 8028TetrahydrofuranHCID 11164GlycidolHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 1363758784-(5-(2-(Diethylamino)-6-methylpyridin-4-yl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methylphenol

생성물 1

HCID 87503562
N,N-diethyl-4-[3-[3-ethyl-5-methyl-4-(oxiran-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-6-methylpyridin-2-amine

출처 및 근거

ORD 기록
ord-8ddd57f7d4074ae4ade1cd1b3fdb50c3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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