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Hydrochloric Acid → tert-Butyl 2-(methoxy(methyl)amino)-1-methyl-2-oxoethylcarbamate

HRID 85842
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HRID 85842 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[CH3:13].[CH3:14][NH:15][O:16][CH3:17].[CH3:19][N:20]([CH3:21])[CH2:22][CH2:23][CH2:24][N:25]=[C:26]=[N:27][CH2:28][CH3:29].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[ClH:18].[ClH:30].[Na+:45].[O-:41][C:42]([OH:43])=[O:44].[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:12])[N:15]([CH3:14])[O:16][CH3:17])[CH3:13]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid2회HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 14232N,O-DimethylhydroxylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 2684712-N-Boc-aminopropionic acid

출처 및 근거

ORD 기록
ord-6304f155635644c8abd17b22d563f4ce
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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생성물 1

HCID 375613tert-Butyl 2-(methoxy(methyl)amino)-1-methyl-2-oxoethylcarbamate