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Hydrochloric Acid → Benzyl 4-(1-methoxy-1-oxo-4-phenylmethoxybutan-2-yl)-5-oxo-1,4-diazepane-1-carboxylate

HRID 173131
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HRID 173131 반응식
[CH3:1][O:2][C:3]([CH:4]([CH2:5][CH2:6][O:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[NH:15][CH2:16][CH2:17][N:18]([CH2:19][CH2:20][C:21](=[O:22])[OH:23])[C:24](=[O:25])[O:26][CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)=[O:34].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:44][N:45]([CH3:46])[CH2:47][CH2:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH3:54].[Cl:55][CH2:56][Cl:57].[ClH:35].[ClH:43]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][CH2:6][O:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[N:15]1[CH2:16][CH2:17][N:18]([C:24](=[O:25])[O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:19][CH2:20][C:21]1=[O:22])=[O:34]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 313Hydrochloric Acid2회HCID 6344DichloromethaneHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 670748233-[2-[(1-Methoxy-1-oxo-4-phenylmethoxybutan-2-yl)amino]ethyl-phenylmethoxycarbonylamino]propanoic acid

생성물 1

HCID 77221737
Benzyl 4-(1-methoxy-1-oxo-4-phenylmethoxybutan-2-yl)-5-oxo-1,4-diazepane-1-carboxylate

출처 및 근거

ORD 기록
ord-7075587a12de42c2b7801abbed8910be
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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