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Hydrochloric Acid → 1-phenyl-1H-imidazole-4-carboxylic acid {2-[3-(2-chloro-phenoxy)-azetidin-1-yl]-2-oxo-ethyl}-amide

HRID 2151799
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HRID 2151799 반응식
[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:50][c:51]1[c:52]([O:53][CH:54]2[CH2:55][NH:56][CH2:57]2)[cH:58][cH:59][cH:60][cH:61]1.[ClH:49].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1.[c:10]1(-[n:16]2[cH:17][n:18][c:19]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:26])[OH:27])[cH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[c:10]1(-[n:16]2[cH:17][n:18][c:19]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:27])[N:56]3[CH2:55][CH:54]([O:53][c:52]4[c:51]([Cl:50])[cH:61][cH:60][cH:59][cH:58]4)[CH2:57]3)[cH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 249022923-(2-Chlorophenoxy)azetidineHCID 66591819[(1-phenyl-1H-imidazole-4-carbonyl)-amino]-acetic acid

생성물 1

HCID 578745051-phenyl-1H-imidazole-4-carboxylic acid {2-[3-(2-chloro-phenoxy)-azetidin-1-yl]-2-oxo-ethyl}-amide

출처 및 근거

ORD 기록
ord-17a4ed59b61f435db42f5a7598f62cc7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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