5-Benzyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid → 5-benzyloxy-N-[(4-dimethylaminophenyl)methyl]-N-(4-isopropylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

반응식

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

참가 물질

반응물 2

HCID 112083185-Benzyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

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

생성물 1

HCID 102801495-benzyloxy-N-[(4-dimethylaminophenyl)methyl]-N-(4-isopropylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

출처 및 근거

ORD 기록: ord-6a4b4b8ee63e44eabfa435a74e2df0e0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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