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Sodium Ion → 3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl-

HRID 115497
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HRID 115497 반응식
[CH3:28][I:29].[CH3:3][N:4]([CH3:5])[CH:6]=[O:7].[Cl:8][c:9]1[cH:10][cH:11][c:12]2[c:13]([cH:27]1)[C:14]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)=[N:15][N:16]([CH3:20])[C:17](=[S:19])[NH:18]2.[H-:1].[Na+:2].[OH2:30]>>[CH3:3][S:19][C:17]1=[N:18][c:12]2[cH:11][cH:10][c:9]([Cl:8])[cH:27][c:13]2[C:14]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)=[N:15][N:16]1[CH3:20]
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7

반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 6328Methyl iodideHCID 166653HydrideHCID 1355779247-Chloro-3-methyl-5-phenyl-2-thioxo-1,2-dihydro-3H-1,3,4-benzotriazepine

생성물 1

HCID 6287943H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl-

출처 및 근거

ORD 기록
ord-3288b42561d843dba9f1b341e3b7e76b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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