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Sodium Ion → 1-[(dimethylamino)methyl]-8-nitro-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepine

HRID 302488
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HRID 302488 반응식
[CH3:1][N:2]([OH:3])[CH3:4].[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[H-:5].[N+:7](=[O:8])([O-:9])[c:10]1[cH:11][cH:12][c:13]2[c:14]([cH:32]1)[C:15]([c:25]1[c:26]([Cl:31])[cH:27][cH:28][cH:29][cH:30]1)=[N:16][CH2:17][c:18]1[n:19]-2[c:20]([CH2:23][Cl:24])[n:21][n:22]1.[Na+:6]>>[CH3:1][N:2]([CH3:4])[CH2:23][c:20]1[n:19]2[c:18]([n:22][n:21]1)[CH2:17][N:16]=[C:15]([c:25]1[c:26]([Cl:31])[cH:27][cH:28][cH:29][cH:30]1)[c:14]1[c:13]-2[cH:12][cH:11][c:10]([N+:7](=[O:8])[O-:9])[cH:32]1
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반응물 5

HCID 923Sodium IonHCID 6228DimethylformamideHCID 27970DimethylhydroxylamineHCID 166653HydrideHCID 233374678-nitro-1-(chloromethyl)-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepine

생성물 1

HCID 202918451-[(dimethylamino)methyl]-8-nitro-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepine

출처 및 근거

ORD 기록
ord-439645222e314d008c75cf7b98d76315
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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