Methanol → 1-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-(6-(4-phenylbutoxy)hexylamino)ethanol

반응식

[CH3:1][C:2]1([CH3:43])[O:3][c:4]2[c:5]([cH:8][c:9]([CH:12]([CH2:13][N:14]([C:15]([O:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)=[O:24])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][O:31][CH2:32][CH2:33][CH2:34][CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[OH:42])[cH:10][cH:11]2)[CH2:6][O:7]1.[CH3:44][OH:45]>>[CH3:1][C:2]1([CH3:43])[O:3][c:4]2[c:5]([cH:8][c:9]([CH:12]([CH2:13][NH:14][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][O:31][CH2:32][CH2:33][CH2:34][CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[OH:42])[cH:10][cH:11]2)[CH2:6][O:7]1

참가 물질

반응물 2

HCID 887Methanol

HCID 11467416N-[2-(2,2-dimethyl-4H-benzo[1,3]dioxin-6-yl)-2-hydroxyethyl]-N-benzyloxycarbonyl-6-(4-phenylbutoxy)hexylamine

생성물 1

HCID 101827471-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-(6-(4-phenylbutoxy)hexylamino)ethanol

출처 및 근거

ORD 기록: ord-01354f229daa4ac7b7be8f572af35492
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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