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

HRID 1543986
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HRID 1543986 반응식
[Br:43][CH2:44][C:45]1([CH2:46][Br:47])[CH:48]=[CH:49][C:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[C:57]#[N:58])=[CH:59][CH2:60]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][cH:16][cH:17][c:18]1[N+:19](=[O:20])[O-:21].[C:22](=[O:23])([O-:24])[O-:25].[CH3:28][c:29]1[cH:30][cH:31][c:32](-[c:35]2[c:36]([C:37]#[N:38])[cH:39][cH:40][cH:41][cH:42]2)[cH:33][cH:34]1.[CH3:61][C:62]#[N:63].[K+:26].[K+:27]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][cH:16][cH:17][c:18]1[N+:19](=[O:20])[O-:21])[CH2:28][c:29]1[cH:30][cH:31][c:32](-[c:35]2[c:36]([C:37]#[N:38])[cH:39][cH:40][cH:41][cH:42]2)[cH:33][cH:34]1
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7

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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-e8292479f5e14c1cabbdc4f798ef5830
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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