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Hydrochloric Acid → Methyl 2-[[1-(4-methylsulfanylbutyl)cyclopentanecarbonyl]amino]-3-(4-nitrophenyl)propanoate

HRID 179105
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HRID 179105 반응식
[CH3:18][S:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24]1([C:29](=[O:30])[OH:31])[CH2:25][CH2:26][CH2:27][CH2:28]1.[CH3:2][O:3][C:4]([CH:5]([NH2:6])[CH2:7][c:8]1[cH:9][cH:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]1)=[O:17].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[CH:56]([N:57]([CH:58]([CH3:59])[CH3:60])[CH2:61][CH3:62])([CH3:63])[CH3:64].[ClH:1].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH3:2][O:3][C:4]([CH:5]([NH:6][C:29]([C:24]1([CH2:23][CH2:22][CH2:21][CH2:20][S:19][CH3:18])[CH2:25][CH2:26][CH2:27][CH2:28]1)=[O:30])[CH2:7][c:8]1[cH:9][cH:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]1)=[O:17]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 560520Methyl 2-amino-3-(4-nitrophenyl)propanoate
HCID 22660143
1-[4-(Methylthio)butyl]cyclopentanecarboxylic acid

생성물 1

HCID 18406011Methyl 2-[[1-(4-methylsulfanylbutyl)cyclopentanecarbonyl]amino]-3-(4-nitrophenyl)propanoate

출처 및 근거

ORD 기록
ord-ee990f83a4964e7789e4a53ba403419d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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