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Acetic Acid → N-tert-butyl-2-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxy-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

HRID 281474
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HRID 281474 반응식
[C:24]([CH3:25])([CH3:26])([CH3:27])[NH:28][C:29](=[O:30])[CH:31]1[NH:32][CH2:33][CH:34]2[CH2:35][CH2:36][CH2:37][CH2:38][CH:39]2[CH2:40]1.[C:41]([BH3-:42])#[N:43].[CH3:45][C:46](=[O:47])[OH:48].[Na+:44].[O:1]=[C:2]1[N:3]([CH:12]([CH:13]([CH:14]=[O:15])[OH:16])[CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[C:4](=[O:11])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21>>[O:1]=[C:2]1[N:3]([CH:12]([CH:13]([CH2:14][N:32]2[CH:31]([C:29]([NH:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:30])[CH2:40][CH:39]3[CH:34]([CH2:33]2)[CH2:35][CH2:36][CH2:37][CH2:38]3)[OH:16])[CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[C:4](=[O:11])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21
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참가 물질

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반응물 5

HCID 176Acetic AcidHCID 923Sodium IonHCID 498716Cyano-borohydrideHCID 3667935N-(tert-butyl)decahydroisoquinoline-3-carboxamideHCID 214661273-(1,3-Dioxoisoindol-2-yl)-2-hydroxy-4-phenylbutanal

생성물 1

HCID 15235333
N-tert-butyl-2-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxy-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

출처 및 근거

ORD 기록
ord-edbb36ecb93242bf96bf014617d9fca6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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