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Bicarbonate Ion → N-[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl-L-proline 3-nitrooxypropyl ester

HRID 291699
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반응식

HRID 291699 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]([CH2:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[NH:15][CH:16]([CH3:17])[C:18](=[O:19])[OH:20].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[Mg+2:41].[N+:21](=[O:22])([O-:23])[O:24][CH2:25][CH2:26][CH2:27][O:28][C:29]([CH:30]1[NH:31][CH2:32][CH2:33][CH2:34]1)=[O:35].[Na+:40].[O-:36][C:37]([OH:38])=[O:39].[O-:42][S:43](=[O:44])(=[O:45])[O-:46]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]([CH2:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[NH:15][CH:16]([CH3:17])[C:18](=[O:20])[N:31]1[CH:30]([C:29]([O:28][CH2:27][CH2:26][CH2:25][O:24][N+:21](=[O:22])[O-:23])=[O:35])[CH2:34][CH2:33][CH2:32]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 888Magnesium CationHCID 923Sodium IonHCID 1117Sulfate IonHCID 8857Ethyl AcetateHCID 37697262-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoic AcidHCID 210993533-Nitrooxypropyl pyrrolidine-2-carboxylate

생성물

1
HCID 11421987N-[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl-L-proline 3-nitrooxypropyl ester

출처 및 근거

ORD 기록
ord-bc8d5a7c718740a983d1c5bca1dd17f7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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