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Hydrochloric Acid → 6-Methyl-pyridine-2-carboxylic acid {3-[4-(2-naphthalen-1-yl-acetylamino)-imidazol-1-yl]-cyclobutyl}-amide

HRID 138935
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HRID 138935 반응식
[CH2:49]([Cl:50])[Cl:51].[CH3:12][N:13]([CH3:14])[CH2:15][CH2:16][CH2:17][N:18]=[C:19]=[N:20][CH2:21][CH3:22].[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C:8](=[O:9])[OH:10])[n:7]1.[CH3:52][N:53]([c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1)[CH3:60].[ClH:11].[NH2:23][CH:24]1[CH2:25][CH:26]([n:28]2[cH:29][n:30][c:31]([NH:33][C:34]([CH2:35][c:36]3[cH:37][cH:38][cH:39][c:40]4[cH:41][cH:42][cH:43][cH:44][c:45]34)=[O:46])[cH:32]2)[CH2:27]1.[Na+:48].[OH-:47].[OH2:61]>>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C:8](=[O:10])[NH:23][CH:24]2[CH2:25][CH:26]([n:28]3[cH:29][n:30][c:31]([NH:33][C:34]([CH2:35][c:36]4[cH:37][cH:38][cH:39][c:40]5[cH:41][cH:42][cH:43][cH:44][c:45]45)=[O:46])[cH:32]3)[CH2:27]2)[n:7]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide
HCID 70282
6-Methylpyridine-2-carboxylic acid
HCID 22025969N-[1-(cis-3-amino-cyclobutyl)-1H-imidazol-4-yl]-2-naphthalen-1-yl-acetamide

생성물 1

HCID 101141106-Methyl-pyridine-2-carboxylic acid {3-[4-(2-naphthalen-1-yl-acetylamino)-imidazol-1-yl]-cyclobutyl}-amide

출처 및 근거

ORD 기록
ord-79546957891e46298c53fa195d0cbbf1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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