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Water → benzyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-phenylmethoxyethylamino)ethyl]-[(4-phenylmethoxyphenyl)methyl]amino]propan-2-yl]carbamate

HRID 1555106
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HRID 1555106 반응식
[C:1](=[O:2])([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:11][CH:12]([CH2:13][c:14]1[cH:15][nH:16][cH:17][n:18]1)[C:19](=[O:20])[OH:21].[CH:33]1([N:34]=[C:35]=[N:36][CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]1.[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH2:32].[OH:22][n:23]1[c:24]2[c:25]([cH:26][cH:27][cH:28][cH:29]2)[n:30][n:31]1.[c:48]1([CH2:54][O:55][CH2:56][CH2:57][NH:58][C:59]([CH2:60][NH:61][CH2:62][c:63]2[cH:64][cH:65][c:66]([O:69][CH2:70][c:71]3[cH:72][cH:73][cH:74][cH:75][cH:76]3)[cH:67][cH:68]2)=[O:77])[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[C:1](=[O:2])([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:11][CH:12]([CH2:13][c:14]1[cH:15][nH:16][cH:17][n:18]1)[C:19](=[O:21])[N:61]([CH2:60][C:59]([NH:58][CH2:57][CH2:56][O:55][CH2:54][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)=[O:77])[CH2:62][c:63]1[cH:64][cH:65][c:66]([O:69][CH2:70][c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:67][cH:68]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 962WaterHCID 6228DimethylformamideHCID 10868DicyclohexylcarbodiimideHCID 757711-HydroxybenzotriazoleHCID 70182186N-[2-(Phenylmethoxy)ethyl]-N2-[[4-(phenylmethoxy)phenyl]methyl]glycinamideHCID 178523261N-Cbz-dl-histidine

생성물 1

HCID 178521306
benzyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-phenylmethoxyethylamino)ethyl]-[(4-phenylmethoxyphenyl)methyl]amino]propan-2-yl]carbamate

출처 및 근거

ORD 기록
ord-722967fa3821473888d66e955acf7dd9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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