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Potassium Cation → 4-(3-Cyanomethoxy-5-methoxy-benzoylamino)-piperidine-1-carboxylic acid tert-butyl ester

HRID 317570
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HRID 317570 반응식
[Br:47][CH2:48][C:49]#[N:50].[C:1](#[N:2])[CH2:3][O:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][CH:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[cH:17][c:18]([O:20][CH3:21])[cH:19]1.[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[N:29]1[CH2:30][CH2:31][CH:32]([NH:33][C:34](=[O:35])[c:36]2[cH:37][c:38]([O:39][CH3:40])[cH:41][c:42]([OH:43])[cH:44]2)[CH2:45][CH2:46]1.[C:51](=[O:52])([O-:53])[O-:54].[CH3:57][C:58]#[N:59].[K+:55].[K+:56]>>[C:1](#[N:2])[CH2:3][O:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][CH:11]2[CH2:12][CH2:13][N:14]([C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[CH2:15][CH2:16]2)[cH:17][c:18]([O:20][CH3:21])[cH:19]1
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반응물 6

HCID 813Potassium Cation2회HCID 6342AcetonitrileHCID 11534BromoacetonitrileHCID 19660Carbonate IonHCID 684587374-(3-Hydroxy-5-methoxy-benzoylamino)-piperidine-1-carboxylic acid tert-butyl esterHCID 684591283-cyanomethoxy-5-methoxy-N-piperidin-4-yl-benzamide

생성물 1

HCID 68456042
4-(3-Cyanomethoxy-5-methoxy-benzoylamino)-piperidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-b198bc7a8cd348aa8b6d73310cd7d529
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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