Acetic Acid → 6-Phenyl-5-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-5,6,7,8-tetrahydro-naphthalen-2-ol

반응식

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

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 260Hydrogen Bromide

HCID 98026221-{2-[4-(6-Methoxy-2-phenyl-1,2,3,4-tetrahydro-naphthalen-1-yl)-phenoxy]-ethyl}-pyrrolidine

생성물 1

HCID 99096816-Phenyl-5-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-5,6,7,8-tetrahydro-naphthalen-2-ol

출처 및 근거

ORD 기록: ord-f6e874b28d3241b283ea33a24d17d959
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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