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Methanol → 6-phenyl-5-[4-[6-(pyridin-2-ylmethylsulfanyl)hexoxy]phenyl]-8,9-dihydro-7H-benzo[7]annulen-2-ol

HRID 1573347
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인쇄 미리보기

반응식

HRID 1573347 반응식
[CH3:43][OH:44].[Cl:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][O:16][c:17]1[cH:18][cH:19][c:20]([C:23]2=[C:24]([c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[CH2:25][CH2:26][CH2:27][c:28]3[c:29]2[cH:30][cH:31][c:32]([OH:34])[cH:33]3)[cH:21][cH:22]1.[I-:42].[Na+:41].[SH:1][CH2:2][c:3]1[n:4][cH:5][cH:6][cH:7][cH:8]1>>[S:1]([CH2:2][c:3]1[n:4][cH:5][cH:6][cH:7][cH:8]1)[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][O:16][c:17]1[cH:18][cH:19][c:20]([C:23]2=[C:24]([c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[CH2:25][CH2:26][CH2:27][c:28]3[c:29]2[cH:30][cH:31][c:32]([OH:34])[cH:33]3)[cH:21][cH:22]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 887MethanolHCID 923Sodium IonHCID 30165Iodide IonHCID 2560712-PyridinemethanethiolHCID 218688365-[4-(6-chlorohexoxy)phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol

생성물 1

HCID 218689266-phenyl-5-[4-[6-(pyridin-2-ylmethylsulfanyl)hexoxy]phenyl]-8,9-dihydro-7H-benzo[7]annulen-2-ol

출처 및 근거

ORD 기록
ord-e32be266ed2f438eb6bf834634de5f3b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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