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Hydrochloric Acid → 2-Acetyl-N-{1-[3-(4-methylbenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]ethyl}-hexanamide

HRID 667291
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HRID 667291 반응식
[C:48]([CH3:49])(=[O:50])[CH:51]([C:52](=[O:53])[OH:54])[CH2:55][CH2:56][CH2:57][CH3:58].[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:47])[nH:35][c:36]([CH2:39][c:40]2[cH:41][cH:42][c:43]([CH3:46])[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:47])[nH:35][c:36]([CH2:39][c:40]2[cH:41][cH:42][c:43]([CH3:46])[cH:44][cH:45]2)[n:37][n:38]1)[C:52]([CH:51]([C:48]([CH3:49])=[O:50])[CH2:55][CH2:56][CH2:57][CH3:58])=[O:53]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 193527442-Acetylhexanoic AcidHCID 1356979156-(1-Aminoethyl)-3-(4-methylbenzyl)-1,2,4-triazin-5(4H)-one

생성물 1

HCID 135494564
2-Acetyl-N-{1-[3-(4-methylbenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]ethyl}-hexanamide

출처 및 근거

ORD 기록
ord-d86bdb1b0bfc4f3b882b0c85a8857aea
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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