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Ethanol → 8-chloro-1-[(aminooxy)methyl]6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine

HRID 2349534
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HRID 2349534 반응식
[CH3:38][CH2:39][OH:40].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:34]1)[C:7]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)=[N:8][CH2:9][c:10]1[n:11]-2[c:12]([CH2:15][O:16][N:17]2[C:18](=[O:19])[c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]3[C:26]2=[O:27])[n:13][n:14]1.[NH2:36][NH2:37].[OH2:35]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:34]1)[C:7]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)=[N:8][CH2:9][c:10]1[n:11]-2[c:12]([CH2:15][O:16][NH2:17])[n:13][n:14]1
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반응물 4

HCID 702EthanolHCID 962WaterHCID 9321HydrazineHCID 126124258-chloro-6-phenyl-1-[(phthalimidooxy)methyl]-4H-s-triazolo[4,3-a][1,4]benzodiazepine

생성물 1

HCID 126124268-chloro-1-[(aminooxy)methyl]6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine

출처 및 근거

ORD 기록
ord-ed5a408ca7c84f3c8806df767b56fc44
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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