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Acetic Acid → [4-(2-Methoxy-5-pyridin-3-yl-benzylamino)-cyclohexyl]-carbamic acid tert-butyl ester

HRID 674776
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반응식

HRID 674776 반응식
[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22]([NH:23][CH:24]1[CH2:25][CH2:26][CH:27]([NH2:30])[CH2:28][CH2:29]1)=[O:31].[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH3:1][O:2][c:3]1[c:4]([CH:5]=[O:6])[cH:7][c:8](-[c:11]2[cH:12][n:13][cH:14][cH:15][cH:16]2)[cH:9][cH:10]1.[CH3:32][C:33](=[O:34])[OH:35].[CH3:50][OH:51].[Na+:49]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:30][CH:27]2[CH2:26][CH2:25][CH:24]([NH:23][C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:31])[CH2:29][CH2:28]2)[cH:7][c:8](-[c:11]2[cH:12][n:13][cH:14][cH:15][cH:16]2)[cH:9][cH:10]1
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7

반응물 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium IonHCID 2724942TriacetoxyborohydrideHCID 2756050Cis tert-Butyl 4-aminocyclohexylcarbamateHCID 226200772-Methoxy-5-(pyridin-3-yl)benzaldehyde

생성물 1

HCID 59766919
[4-(2-Methoxy-5-pyridin-3-yl-benzylamino)-cyclohexyl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-bbb12cee773e4190af56318b5c1e4e40
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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