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

HRID 315438
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반응식

HRID 315438 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.[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]1.[CH3:34][CH2:35][O:36][C:37]([CH3:38])=[O:39].[OH2:40]>>[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

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반응물 5

HCID 962WaterHCID 8857Ethyl AcetateHCID 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-b7699379d433404f9a780087afe398a7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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