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Hydrochloric Acid → 3-(3-Methyl-4-oxo-5H-2-oxa-1,5,7-triaza-cyclopenta[a]naphthalen-5-yl)-cyclohexanecarboxylic acid 3,4,5-trimethoxy-benzylamide

HRID 1559428
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HRID 1559428 반응식
[CH3:1][c:2]1[o:3][n:4][c:5]2[c:6]1[c:7](=[O:24])[n:8]([CH:15]1[CH2:16][CH:17]([C:21](=[O:22])[OH:23])[CH2:18][CH2:19][CH2:20]1)[c:9]1[cH:10][n:11][cH:12][cH:13][c:14]21.[CH3:26][N:27]([CH3:28])[CH2:29][CH2:30][CH2:31][N:32]=[C:33]=[N:34][CH2:35][CH3:36].[CH3:56][O:57][c:58]1[cH:59][c:60]([CH2:61][NH2:62])[cH:63][c:64]([O:68][CH3:69])[c:65]1[O:66][CH3:67].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[ClH:25].[OH:37][n:38]1[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH3:1][c:2]1[o:3][n:4][c:5]2[c:6]1[c:7](=[O:24])[n:8]([CH:15]1[CH2:16][CH:17]([C:21](=[O:23])[NH:62][CH2:61][c:60]3[cH:59][c:58]([O:57][CH3:56])[c:65]([O:66][CH3:67])[c:64]([O:68][CH3:69])[cH:63]3)[CH2:18][CH2:19][CH2:20]1)[c:9]1[cH:10][n:11][cH:12][cH:13][c:14]21
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 877363,4,5-TrimethoxybenzylamineHCID 181649HOAtHCID 221701653-(3-Methyl-4-oxo-5H-2-oxa-1,5,7-triaza-cyclopenta[a]naphthalen-5-yl)-cyclohexanecarboxylic acid

생성물 1

HCID 696527633-(3-Methyl-4-oxo-5H-2-oxa-1,5,7-triaza-cyclopenta[a]naphthalen-5-yl)-cyclohexanecarboxylic acid 3,4,5-trimethoxy-benzylamide

출처 및 근거

ORD 기록
ord-c3b0e8b41653471d992e03724729fde8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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