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Hydrochloric Acid → N-(2-(5-chloro-1H-indol-3-yl)ethyl)-5-(4-(trifluoromethoxy)benzyl)-1,2,4-oxadiazole-3-carboxamide

HRID 99279
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HRID 99279 반응식
[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[Cl:24][c:25]1[cH:26][c:27]2[c:28]([CH2:34][CH2:35][NH2:36])[cH:29][nH:30][c:31]2[cH:32][cH:33]1.[ClH:23].[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][c:9]2[n:10][c:11]([C:14]([O:16][CH2:15][CH3:17])=[O:18])[n:12][o:13]2)[cH:19][cH:20]1)([F:21])[F:22].[Na+:67].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH-:66].[OH2:68].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][c:9]2[n:10][c:11]([C:14](=[O:16])[NH:36][CH2:35][CH2:34][c:28]3[c:27]4[cH:26][c:25]([Cl:24])[cH:33][cH:32][c:31]4[nH:30][cH:29]3)[n:12][o:13]2)[cH:19][cH:20]1)([F:21])[F:22]
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참가 물질

11

반응물 10

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 773795-Chlorotryptamine
HCID 4641409
(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 66832172Ethyl 5-(4-(trifluoromethoxy)benzyl)-1,2,4-oxadiazole-3-carboxylate

생성물 1

HCID 66831883N-(2-(5-chloro-1H-indol-3-yl)ethyl)-5-(4-(trifluoromethoxy)benzyl)-1,2,4-oxadiazole-3-carboxamide

출처 및 근거

ORD 기록
ord-238c94cb56ca4a4d85ac94fd8c0e2c8d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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