Ethanol → 2-amino-N-[4-[3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]butanediamide

HRID 662156

반응식

HRID 662156 반응식
[CH2:1]([O:2][C:3](=[O:4])[NH:11][CH:12]([CH2:13][C:14]([NH2:15])=[O:16])[C:17](=[O:18])[NH:19][CH:20]([CH:21]([CH2:22][N:23]1[CH2:24][CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH:30]2[CH2:31][CH:32]1[C:33](=[O:34])[NH:35][C:36]([CH3:37])([CH3:38])[CH3:39])[OH:40])[CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:48][CH2:49][OH:50]>>[NH2:11][CH:12]([CH2:13][C:14]([NH2:15])=[O:16])[C:17](=[O:18])[NH:19][CH:20]([CH:21]([CH2:22][N:23]1[CH2:24][CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH:30]2[CH2:31][CH:32]1[C:33](=[O:34])[NH:35][C:36]([CH3:37])([CH3:38])[CH3:39])[OH:40])[CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1

참가 물질

3

반응물 2

HCID 702EthanolHCID 15107603benzyl N-[4-amino-1-[[4-[3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate

생성물 1

HCID 99144892-amino-N-[4-[3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]butanediamide

출처 및 근거

ORD 기록
ord-9dc53db55fa644c3abd4286846c7c756
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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