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4-Aminopyridine → 2-{4-[2-(3,5-Dimethyl-pyrazol-1-yl)-acetyl]-piperazin-1-yl}-N-pyridin-4-yl-benzamide

HRID 287295
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반응식

HRID 287295 반응식
[CH3:1][c:2]1[n:3][n:4]([CH2:8][C:9](=[O:10])[N:11]2[CH2:12][CH2:13][N:14]([c:17]3[c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23][cH:24][cH:25]3)[CH2:15][CH2:16]2)[c:5]([CH3:7])[cH:6]1.[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[Cl:26][C:27]([C:28]([Cl:29])=[O:30])=[O:31].[Cl:48][CH2:49][Cl:50].[NH2:32][c:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1.[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[CH3:1][c:2]1[n:3][n:4]([CH2:8][C:9](=[O:10])[N:11]2[CH2:12][CH2:13][N:14]([c:17]3[c:18]([C:19](=[O:20])[NH:32][c:33]4[cH:34][cH:35][n:36][cH:37][cH:38]4)[cH:22][cH:23][cH:24][cH:25]3)[CH2:15][CH2:16]2)[c:5]([CH3:7])[cH:6]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 17274-AminopyridineHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 65578Oxalyl chlorideHCID 81531DiisopropylethylamineHCID 57516317{4-[2-(3,5-Dimethyl-pyrazol-1-yl)-acetyl]-piperazin-1-yl}-benzoic acid

생성물 1

HCID 59548808
2-{4-[2-(3,5-Dimethyl-pyrazol-1-yl)-acetyl]-piperazin-1-yl}-N-pyridin-4-yl-benzamide

출처 및 근거

ORD 기록
ord-ce17afac7dcb42c99053a0dfff0f91af
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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