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Acetate → tert-butyl N-[1-[(2-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]-N-(2-oxoethyl)carbamate

HRID 2126071
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HRID 2126071 반응식
[C:46]([O-:47])(=[O:48])[CH3:49].[C:50]([O-:51])(=[O:52])[CH3:53].[C:54]([O-:55])(=[O:56])[CH3:57].[C:58]([O-:59])(=[O:60])[CH3:61].[C:63](=[O:64])([OH:65])[O-:66].[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]([C:7]([CH:8]([CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[N:16]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:24][CH:25]=[CH2:26])=[O:27])[CH3:28])[cH:29][cH:30][cH:31][cH:32]1.[CH3:33][N+:34]1([O-:35])[CH2:36][CH2:38][O:37][CH2:39][CH2:40]1.[CH3:78][C:79](=[O:80])[CH3:81].[CH:68]([Cl:69])([Cl:70])[Cl:71].[Na+:45].[Na+:67].[OH2:77].[Os:72](=[O:73])(=[O:74])(=[O:75])=[O:76].[Pb+4:62].[S:41](=[O:42])([OH:43])[O-:44]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]([C:7]([CH:8]([CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[N:16]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:24][CH:25]=[O:37])=[O:27])[CH3:28])[cH:29][cH:30][cH:31][cH:32]1
참가 물질출처 및 근거반응 노트

참가 물질

12

반응물 11

HCID 175Acetate4회HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 962WaterHCID 6212ChloroformHCID 30318Osmium TetroxideHCID 82029Methyl morpholine oxide
HCID 104748Bisulfite
HCID 22906978tert-butyl N-[1-[(2-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]-N-prop-2-enylcarbamate
HCID 178527690HCID 178527690, 화합물

생성물 1

HCID 22906941tert-butyl N-[1-[(2-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]-N-(2-oxoethyl)carbamate

출처 및 근거

ORD 기록
ord-38c671b9b038466a891e022e5b2f71a9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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