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Acetonitrile → 1-(Tetrahydro-1,1-dioxido-3-thienyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

HRID 1223475
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HRID 1223475 반응식
[Br:15][CH:16]1[CH2:17][S:18](=[O:21])(=[O:22])[CH2:19][CH2:20]1.[C:23](=[O:24])([O-:25])[O-:26].[CH3:1][C:2]1([CH3:14])[O:3][B:4]([c:9]2[cH:10][n:11][nH:12][cH:13]2)[O:5][C:6]1([CH3:7])[CH3:8].[CH3:29][C:30]#[N:31].[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[Cs+:27].[Cs+:28]>>[CH3:1][C:2]1([CH3:14])[O:3][B:4]([c:9]2[cH:10][n:11][n:12]([CH:16]3[CH2:17][S:18](=[O:21])(=[O:22])[CH2:19][CH2:20]3)[cH:13]2)[O:5][C:6]1([CH3:7])[CH3:8]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 956373-Bromotetrahydrothiophene 1,1-dioxideHCID 104967Cesium cation2회HCID 27740104-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

생성물 1

HCID 67050635

출처 및 근거

ORD 기록
ord-49c9d89b768b44e9bb31f91d50ef4121
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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1-(Tetrahydro-1,1-dioxido-3-thienyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole