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Potassium Cation → 5-[4-(Cyanomethyl)phenyl]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide

HRID 1541218
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HRID 1541218 반응식
[Br:1][c:2]1[cH:3][c:4]2[c:5]([CH:14]3[CH2:15][CH2:16][S:17](=[O:20])(=[O:21])[CH2:18][CH2:19]3)[cH:6][nH:7][c:8]2[c:9]([C:11](=[O:12])[NH2:13])[cH:10]1.[C:22](#[N:23])[CH2:24][c:25]1[cH:26][cH:27][c:28]([B:31]([OH:32])[OH:33])[cH:29][cH:30]1.[CH2:46]1[O:47][CH2:48][CH2:49][O:50][CH2:51]1.[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[K+:34].[K+:35].[O-:36][C:37]([O-:38])=[O:39].[OH2:52]>>[c:2]1(-[c:28]2[cH:27][cH:26][c:25]([CH2:24][C:22]#[N:23])[cH:30][cH:29]2)[cH:3][c:4]2[c:5]([CH:14]3[CH2:15][CH2:16][S:17](=[O:20])(=[O:21])[CH2:18][CH2:19]3)[cH:6][nH:7][c:8]2[c:9]([C:11](=[O:12])[NH2:13])[cH:10]1
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참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27733424-(Cyanomethyl)benzeneboronic acidHCID 593327575-Bromo-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide

생성물 1

HCID 593327855-[4-(Cyanomethyl)phenyl]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide

출처 및 근거

ORD 기록
ord-2441a59b17df49f9ae45cc036fad1318
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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