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Potassium Cation → 8-(methylthio)-1-[(cyclopropylamino)methyl]-6-phenyl-4H-s-triazolo[4,3-a][1,4]-benzodiazepine

HRID 1563055
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HRID 1563055 반응식
[CH3:3][S:4][c:5]1[cH:6][cH:7][c:8]2[c:9]([cH:26]1)[C:10]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)=[N:11][CH2:12][c:13]1[n:14]-2[c:15]([CH2:18][Cl:19])[n:16][n:17]1.[CH:27]1([NH2:30])[CH2:28][CH2:29]1.[I-:2].[K+:1].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1>>[CH3:3][S:4][c:5]1[cH:6][cH:7][c:8]2[c:9]([cH:26]1)[C:10]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)=[N:11][CH2:12][c:13]1[n:14]-2[c:15]([CH2:18][NH:30][CH:27]2[CH2:28][CH2:29]2)[n:16][n:17]1
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반응물 5

HCID 813Potassium CationHCID 8028TetrahydrofuranHCID 30165Iodide IonHCID 69828CyclopropylamineHCID 203611608-(methylthio)-1-(chloromethyl)-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine

생성물 1

HCID 214373298-(methylthio)-1-[(cyclopropylamino)methyl]-6-phenyl-4H-s-triazolo[4,3-a][1,4]-benzodiazepine

출처 및 근거

ORD 기록
ord-10368b7e10534fdbbe8888d57d1d59ec
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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