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Isoniazid → 4-{2-Oxo-2-[N'-(pyridine-4-carbonyl)-hydrazino]-ethoxy}-piperidine-1-carboxylic acid tert-butyl ester

HRID 190072
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반응식

HRID 190072 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][CH2:15][C:16](=[O:17])[OH:18])[CH2:12][CH2:13]1.[C:40]([c:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1)(=[O:47])[NH:48][NH2:49].[CH2:19]([N:20]=[C:21]=[N:22][CH2:23][CH2:24][CH2:25][N:26]([CH3:27])[CH3:28])[CH3:29].[Cl:50][CH2:51][Cl:52].[OH:30][n:31]1[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][CH2:15][C:16](=[O:18])[NH:49][NH:48][C:40]([c:41]2[cH:42][cH:43][n:44][cH:45][cH:46]2)=[O:47])[CH2:12][CH2:13]1
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반응물 5

HCID 3767IsoniazidHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 15020822-((1-((Tert-butoxy)carbonyl)piperidin-4-yl)oxy)acetic acid

생성물 1

HCID 690777364-{2-Oxo-2-[N'-(pyridine-4-carbonyl)-hydrazino]-ethoxy}-piperidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-d57b0653b8b142d788603cc146cf83b1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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