Methanol → (3RS,4RS)-4-(3-aminopropyl)-7-methoxymethoxy-3-(4-methoxymethoxyphenyl)-3-methylchroman

반응식

[CH3:32][OH:33].[N:1](=[N+:2]=[N-:3])[CH2:4][CH2:5][CH2:6][CH:7]1[C:8]([CH3:21])([c:22]2[cH:23][cH:24][c:25]([O:28][CH2:29][O:30][CH3:31])[cH:26][cH:27]2)[CH2:9][O:10][c:11]2[cH:12][c:13]([O:17][CH2:18][O:19][CH3:20])[cH:14][cH:15][c:16]21.[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1>>[NH2:1][CH2:4][CH2:5][CH2:6][CH:7]1[C:8]([CH3:21])([c:22]2[cH:23][cH:24][c:25]([O:28][CH2:29][O:30][CH3:31])[cH:26][cH:27]2)[CH2:9][O:10][c:11]2[cH:12][c:13]([O:17][CH2:18][O:19][CH3:20])[cH:14][cH:15][c:16]21

참가 물질

반응물 3

HCID 887Methanol

HCID 8028Tetrahydrofuran

HCID 22033112HCID 22033112, 화합물

생성물 1

HCID 22033411(3RS,4RS)-4-(3-aminopropyl)-7-methoxymethoxy-3-(4-methoxymethoxyphenyl)-3-methylchroman

출처 및 근거

ORD 기록: ord-07181fb62ca74052aeb50db9838ac606
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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