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Dimethylacetamide → 9H-fluoren-9-ylmethyl 3-[benzyl-(3-methyl-2-phenylbutyl)carbamoyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

HRID 1235278
노트
인쇄 미리보기

반응식

HRID 1235278 반응식
[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[NH:42][CH2:43][CH:44]([CH:45]([CH3:46])[CH3:47])[c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH2:54]([N:55]([CH:56]([CH3:57])[CH3:58])[CH:59]([CH3:60])[CH3:61])[CH3:62].[CH2:63]([P:64]([OH:65])([OH:66])=[O:67])[CH2:68][CH3:69].[CH3:70][C:71]([N:72]([CH3:73])[CH3:74])=[O:75].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[N:18]1[CH2:19][CH:20]([C:32](=[O:33])[OH:34])[CH2:21][CH:22]([NH:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23]1)[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[N:18]1[CH2:19][CH:20]([C:32](=[O:34])[N:42]([CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[CH2:43][CH:44]([CH:45]([CH3:46])[CH3:47])[c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[CH2:21][CH:22]([NH:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23]1)[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 31374DimethylacetamideHCID 81531DiisopropylethylamineHCID 204484Propylphosphonic acidHCID 578702925-(tert-butoxycarbonylamino)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acidHCID 67273216Benzyl-(3-methyl-2-phenyl-butyl)-amine

생성물 1

HCID 69073350
9H-fluoren-9-ylmethyl 3-[benzyl-(3-methyl-2-phenylbutyl)carbamoyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-215178c051a64bfe8677353ca64c8637
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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