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Ethyl Acetate → Tert-butyl 4-(4-(4-(1,1-dimethylethoxycarbonyl)piperazin-1-yl)phenylaminocarbonyl)phenoxyacetate

HRID 313851
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HRID 313851 반응식
[Br:36][CH2:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44].[C:30](=[O:31])([O-:32])[O-:33].[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][N:10]([c:13]2[cH:14][cH:15][c:16]([NH:19][C:20]([c:21]3[cH:22][cH:23][c:24]([OH:27])[cH:25][cH:26]3)=[O:28])[cH:17][cH:18]2)[CH2:11][CH2:12]1)[CH3:29].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Cs+:34].[Cs+:35]>>[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][N:10]([c:13]2[cH:14][cH:15][c:16]([NH:19][C:20]([c:21]3[cH:22][cH:23][c:24]([O:27][CH2:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[cH:25][cH:26]3)=[O:28])[cH:17][cH:18]2)[CH2:11][CH2:12]1)[CH3:29]
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반응물 5

HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 79177tert-Butyl bromoacetateHCID 104967Cesium cation2회HCID 54019812Tert-butyl 4-{4-[(4-hydroxybenzoyl)amino]phenyl}piperazine-1-carboxylate

생성물 1

HCID 53850602Tert-butyl 4-(4-(4-(1,1-dimethylethoxycarbonyl)piperazin-1-yl)phenylaminocarbonyl)phenoxyacetate

출처 및 근거

ORD 기록
ord-d18d394f6cd9427ba4b1ef1fdc5c2f38
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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