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Water → Tert-butyl 3-(4-(methylsulfonyl)phenyl)-1,2,4-thiadiazol-5-ylcarbamate

HRID 2333379
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HRID 2333379 반응식
[Br:1][c:2]1[n:3][s:4][c:5]([NH:7][C:8]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:14])[n:6]1.[CH3:15][S:16](=[O:17])(=[O:18])[c:19]1[cH:20][cH:21][c:22]([B:25]([OH:26])[OH:27])[cH:23][cH:24]1.[Cs+:29].[F-:28].[O:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1.[OH2:37].[Pd:36]>>[c:2]1(-[c:22]2[cH:21][cH:20][c:19]([S:16]([CH3:15])(=[O:17])=[O:18])[cH:24][cH:23]2)[n:3][s:4][c:5]([NH:7][C:8]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:14])[n:6]1
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8

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HCID 962WaterHCID 23938PalladiumHCID 28179Fluoride IonHCID 312751,4-DioxaneHCID 104967Cesium cationHCID 27343644-(Methanesulfonyl)phenylboronic acidHCID 44604453tert-Butyl (3-bromo-1,2,4-thiadiazol-5-yl)carbamate

생성물 1

출처 및 근거

ORD 기록
ord-a07c57d113fd4bf7a775bcb6a69d2f69
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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HCID 68743050
Tert-butyl 3-(4-(methylsulfonyl)phenyl)-1,2,4-thiadiazol-5-ylcarbamate