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Pyridine → N-[3-(4-{2-[4-(Cyclohexylmethyl)-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethyl}piperazino)phenyl]acetamide

HRID 669967
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인쇄 미리보기

반응식

HRID 669967 반응식
[CH3:30][C:31](=[O:32])[O:33][C:34](=[O:35])[CH3:36].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[NH2:1][c:2]1[cH:3][c:4]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][c:16]3[n:17]([CH2:23][CH:24]4[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]4)[c:18](=[O:22])[n:19]([CH3:21])[n:20]3)[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1.[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[NH:1]([c:2]1[cH:3][c:4]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][c:16]3[n:17]([CH2:23][CH:24]4[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]4)[c:18](=[O:22])[n:19]([CH3:21])[n:20]3)[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1)[C:31]([CH3:30])=[O:32]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 1049PyridineHCID 1140TolueneHCID 7918Acetic AnhydrideHCID 595364685-{2-[4-(3-aminophenyl)piperazino]ethyl}-4-(cyclohexyl methyl)-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

생성물 1

HCID 25184737N-[3-(4-{2-[4-(Cyclohexylmethyl)-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethyl}piperazino)phenyl]acetamide

출처 및 근거

ORD 기록
ord-09fd5d6ca6eb49c992f7f0cf2d18b89d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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