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Nitrogen → 2-Methyl-5-(3-trifluoromethoxy-phenyl)-oxazole-4-carboxylic acid {2-[2-(1-hydroxy-ethyl)-oxazol-5-ylmethyl]-2H-[1,2,3]triazol-4-yl}-amide

HRID 1574064
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HRID 1574064 반응식
[C:3]([Si:4]([CH3:5])([CH3:6])[O:8][CH:9]([CH3:10])[c:11]1[o:12][c:13]([CH2:16][n:17]2[n:18][cH:19][c:20]([NH:22][C:23](=[O:24])[c:25]3[n:26][c:27]([CH3:41])[o:28][c:29]3-[c:30]3[cH:31][c:32]([O:36][C:37]([F:38])([F:39])[F:40])[cH:33][cH:34][cH:35]3)[n:21]2)[cH:14][n:15]1)([CH3:7])([CH3:42])[CH3:43].[CH2:45]([N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH3:61].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[F-:44].[N:1]#[N:2]>>[OH:8][CH:9]([CH3:10])[c:11]1[o:12][c:13]([CH2:16][n:17]2[n:18][cH:19][c:20]([NH:22][C:23](=[O:24])[c:25]3[n:26][c:27]([CH3:41])[o:28][c:29]3-[c:30]3[cH:31][c:32]([O:36][C:37]([F:38])([F:39])[F:40])[cH:33][cH:34][cH:35]3)[n:21]2)[cH:14][n:15]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 947NitrogenHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 673642322-Methyl-5-(3-trifluoromethoxy-phenyl)-oxazole-4-carboxylic acid (2-{2-[1-(tert-butyl-dimethyl-silanyloxy)-ethyl]-oxazol-5-ylmethyl}-2H-[1,2,3]triazol-4-yl)-amide

생성물 1

HCID 67365054
2-Methyl-5-(3-trifluoromethoxy-phenyl)-oxazole-4-carboxylic acid {2-[2-(1-hydroxy-ethyl)-oxazol-5-ylmethyl]-2H-[1,2,3]triazol-4-yl}-amide

출처 및 근거

ORD 기록
ord-8becae73924f4614a84f935be1863884
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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