Benzene → HCID 12850096, 화합물

반응식

[CH3:13][O:14][c:15]1[cH:16][cH:17][c:18]([CH2:21][CH2:22][CH:23]([CH3:24])[NH2:25])[cH:19][cH:20]1.[CH3:1][c:2]1[c:3]([S:11][CH3:12])[cH:4][c:5]([CH:6]2[CH2:7][O:8]2)[cH:9][cH:10]1.[cH:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[CH3:1][c:2]1[c:3]([S:11][CH3:12])[cH:4][c:5]([CH:6]([CH2:7][NH:25][CH:23]([CH2:22][CH2:21][c:18]2[cH:17][cH:16][c:15]([O:14][CH3:13])[cH:20][cH:19]2)[CH3:24])[OH:8])[cH:9][cH:10]1

참가 물질

반응물 3

HCID 241Benzene

HCID 4102024-Methoxy-alpha-methylbenzenepropanamine

HCID 12850095HCID 12850095, 화합물

생성물 1

HCID 12850096HCID 12850096, 화합물

출처 및 근거

ORD 기록: ord-cc4994ec6f7b482b842656cce2327376
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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