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Hydrochloric Acid → 2-acetyl-5-cyclohexyl-N-{1-[3-(3,4-dimethoxybenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]ethyl}pentanamide

HRID 2344010
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HRID 2344010 반응식
[C:51]([CH3:52])(=[O:53])[CH:54]([C:55](=[O:56])[OH:57])[CH2:58][CH2:59][CH2:60][CH:61]1[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]1.[CH3:11][N:12]1[CH2:13][CH2:14][O:15][CH2:16][CH2:17]1.[CH3:19][N:20]([CH3:21])[CH2:22][CH2:23][CH2:24][N:25]=[C:26]=[N:27][CH2:28][CH3:29].[ClH:18].[NH2:30][CH:31]([CH3:32])[c:33]1[c:34](=[O:50])[nH:35][c:36]([CH2:39][c:40]2[cH:41][c:42]([O:48][CH3:49])[c:43]([O:46][CH3:47])[cH:44][cH:45]2)[n:37][n:38]1.[OH:1][n:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1>>[NH:30]([CH:31]([CH3:32])[c:33]1[c:34](=[O:50])[nH:35][c:36]([CH2:39][c:40]2[cH:41][c:42]([O:48][CH3:49])[c:43]([O:46][CH3:47])[cH:44][cH:45]2)[n:37][n:38]1)[C:55]([CH:54]([C:51]([CH3:52])=[O:53])[CH2:58][CH2:59][CH2:60][CH:61]1[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]1)=[O:56]
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참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 183708122-Acetyl-5-cyclohexylpentanoic acidHCID 1356979236-(1-Aminoethyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazin-5(2H)-one

생성물 1

HCID 136017764
2-acetyl-5-cyclohexyl-N-{1-[3-(3,4-dimethoxybenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]ethyl}pentanamide

출처 및 근거

ORD 기록
ord-df1a307f7cb541cab8f16f67576064c7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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