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Nicotinic Acid → Tert-butyl 2-(2-(2-(nicotinamido)ethyl)disulfanyl)ethylcarbamate

HRID 1552729
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HRID 1552729 반응식
[CH3:25][CH2:26][N:27]=[C:28]=[N:29][CH2:30][CH2:31][CH2:32][N:33]([CH3:34])[CH3:35].[CH3:36][C:37]#[N:38].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[NH2:10][CH2:11][CH2:12][S:13][S:14][CH2:15][CH2:16][NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][n:8][cH:9]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][n:8][cH:9]1)[NH:10][CH2:11][CH2:12][S:13][S:14][CH2:15][CH2:16][NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24]
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참가 물질

6

반응물 5

HCID 938Nicotinic AcidHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 22245556tert-butyl N-(2-((2-aminoethyl)disulfanyl)ethyl)carbamate

생성물 1

HCID 86651799Tert-butyl 2-(2-(2-(nicotinamido)ethyl)disulfanyl)ethylcarbamate

출처 및 근거

ORD 기록
ord-7354a345ff094f86b1dc4db241d99e89
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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