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N,N-Dimethylglycine → 4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzonitrile

HRID 112787
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인쇄 미리보기

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HRID 112787 반응식
[C:30](=[O:31])([O-:32])[O-:33].[CH3:23][N:24]([CH2:25][C:26](=[O:27])[OH:28])[CH3:29].[CH3:36][S:37]([CH3:38])=[O:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Cs+:34].[Cs+:35].[F:10][C:11]([c:12]1[n:13][nH:14][c:15]2[c:20]1[CH2:19][CH2:18][CH2:17][CH2:16]2)([F:21])[F:22].[I:1][c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1>>[c:2]1(-[n:14]2[n:13][c:12]([C:11]([F:10])([F:21])[F:22])[c:20]3[c:15]2[CH2:16][CH2:17][CH2:18][CH2:19]3)[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 673N,N-DimethylglycineHCID 679Dimethyl SulfoxideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 764674-IodobenzonitrileHCID 104967Cesium cation2회HCID 28028633-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

생성물 1

출처 및 근거

ORD 기록
ord-37038ff7193c46fa906cc24bd368e114
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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이 페이지에서참가 물질출처 및 근거반응 노트
HCID 50992866
4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzonitrile