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Potassium Cation → Methyl 2-[N-(tert-Butoxycarbonyl)-N-[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate

HRID 1200941
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HRID 1200941 반응식
[Br:16][CH2:17][C:18]1([CH2:19][Br:20])[CH:21]=[CH:22][C:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[C:30]#[N:31])=[CH:32][CH2:33]1.[C:34]([CH3:35])([CH3:36])([CH3:37])[O:38][C:39](=[O:40])[NH:41][c:42]1[c:43]([C:44](=[O:45])[O:46][CH3:47])[cH:48][cH:49][cH:50][c:51]1[N+:52](=[O:53])[O-:54].[C:55](=[O:56])([O-:57])[O-:58].[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:10]#[N:11])[cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7]1.[CH3:61][C:62]#[N:63].[K+:59].[K+:60]>>[CH2:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:10]#[N:11])[cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7]1)[N:41]([C:39]([O:38][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:40])[c:42]1[c:43]([C:44](=[O:45])[O:46][CH3:47])[cH:48][cH:49][cH:50][c:51]1[N+:52](=[O:53])[O-:54]
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참가 물질

7

반응물 6

HCID 813Potassium Cation2회HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 1455122-Cyano-4'-methylbiphenylHCID 9965968Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoateHCID 865948322-(4,4-Dibromomethylphenyl)benzonitrile

생성물 1

HCID 10874596
Methyl 2-[N-(tert-Butoxycarbonyl)-N-[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate

출처 및 근거

ORD 기록
ord-200c0bcfa0a2429b9db221ec96672c6f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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