3,4-Dihydro-2H-1-benzopyran-4-carboxylic acid → N-[(4-dimethylaminophenyl) methyl]-N-(4-isopropylphenyl)chroman-4-carboxamide

반응식

[CH3:14][N:15]([c:16]1[cH:17][cH:18][c:19]([CH2:22][NH:23][c:24]2[cH:25][cH:26][c:27]([CH:30]([CH3:31])[CH3:32])[cH:28][cH:29]2)[cH:20][cH:21]1)[CH3:33].[O:1]1[CH2:2][CH2:3][CH:4]([C:11](=[O:12])[OH:13])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21>>[O:1]1[CH2:2][CH2:3][CH:4]([C:11](=[O:13])[N:23]([CH2:22][c:19]2[cH:18][cH:17][c:16]([N:15]([CH3:14])[CH3:33])[cH:21][cH:20]2)[c:24]2[cH:25][cH:26][c:27]([CH:30]([CH3:31])[CH3:32])[cH:28][cH:29]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21

참가 물질

반응물 2

HCID 1886693,4-Dihydro-2H-1-benzopyran-4-carboxylic acid

HCID 21957887N-(4-(Dimethylamino)benzyl)-4-isopropylbenzenamine

생성물 1

HCID 10159665N-[(4-dimethylaminophenyl) methyl]-N-(4-isopropylphenyl)chroman-4-carboxamide

출처 및 근거

ORD 기록: ord-47675b04cf7f49e0ac1daacc63f65d89
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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