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Sodium Ion → N-(3-{3-[(2-Chloro-3-trifluoromethyl-benzyl)-2,2-diphenylethyl-amino]-propoxy}-phenyl)-N-methyl-carbamic Acid Tert-Butyl Ester

HRID 94558
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HRID 94558 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([O:14][CH2:15][CH2:16][CH2:17][N:18]([CH2:19][CH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:33][c:34]2[c:35]([Cl:44])[c:36]([C:40]([F:41])([F:42])[F:43])[cH:37][cH:38][cH:39]2)[cH:11][cH:12][cH:13]1)=[O:45].[CH3:48][I:49].[H-:47].[Na+:46].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([c:8]1[cH:9][c:10]([O:14][CH2:15][CH2:16][CH2:17][N:18]([CH2:19][CH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:33][c:34]2[c:35]([Cl:44])[c:36]([C:40]([F:41])([F:42])[F:43])[cH:37][cH:38][cH:39]2)[cH:11][cH:12][cH:13]1)[CH3:48])=[O:45]
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참가 물질

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반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 6328Methyl iodideHCID 166653HydrideHCID 10175511(3-{3-[(2-Chloro-3-trifluoromethyl-benzyl)-diphenylethyl-amino]-propoxy}-phenyl)-carbamic acid tert-butyl ester

생성물 1

HCID 69252425
N-(3-{3-[(2-Chloro-3-trifluoromethyl-benzyl)-2,2-diphenylethyl-amino]-propoxy}-phenyl)-N-methyl-carbamic Acid Tert-Butyl Ester

출처 및 근거

ORD 기록
ord-90e30944c6bf4b238003e88f064f3631
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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