Pyridine → 10-Acetoxy-5,5-dimethyl-8-(2-tetradecyl)-5H-[1]benzopyrano[3,4-d]pyridine

반응식

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

참가 물질

반응물 3

HCID 1049Pyridine

HCID 7918Acetic Anhydride

HCID 202878565,5-dimethyl-10-hydroxy-8-(2-tetradecyl)-5H-[1]benzopyrano[3,4-d]pyridine

생성물 1

HCID 2028790010-Acetoxy-5,5-dimethyl-8-(2-tetradecyl)-5H-[1]benzopyrano[3,4-d]pyridine

출처 및 근거

ORD 기록: ord-d4caf02bf1894e1da6a799a71a3c7d83
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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