Pyridine → Temelastine

반응식

[Br:1][c:2]1[cH:3][c:4]([CH3:13])[c:5]([CH2:8][CH2:9][CH2:10][CH2:11][NH2:12])[n:6][cH:7]1.[N+:14]([NH:15][c:18]1[n:19][cH:20][c:21]([CH2:25][c:26]2[cH:27][n:28][c:29]([CH3:32])[cH:30][cH:31]2)[c:22](=[O:24])[nH:23]1)([O-:16])=[O:17].[cH:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1>>[Br:1][c:2]1[cH:3][c:4]([CH3:13])[c:5]([CH2:8][CH2:9][CH2:10][CH2:11][NH:12][c:18]2[n:19][cH:20][c:21]([CH2:25][c:26]3[cH:27][n:28][c:29]([CH3:32])[cH:30][cH:31]3)[c:22](=[O:24])[nH:23]2)[n:6][cH:7]1

참가 물질

반응물 3

HCID 1049Pyridine

HCID 30183605-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one

HCID 130942724-(5-Bromo-3-methyl-2-pyridinyl)butylamine

생성물 1

HCID 55482Temelastine

출처 및 근거

ORD 기록: ord-a2e5c7c095794fb99321663f3145f172
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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