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Diethyl Ether → 3-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenylsulfanyl]-benzonitrile

HRID 108117
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HRID 108117 반응식
[C:44](=[O:45])([O-:46])[O-:47].[CH3:1][S:2](=[O:3])(=[O:4])[Cl:5].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH3:58][CH2:59][O:60][CH2:61][CH3:62].[Cl:50][CH2:51][Cl:52].[Cs+:48].[Cs+:49].[OH:30][c:31]1[c:32]([C:41]([CH3:42])=[O:43])[cH:33][cH:34][c:35]([OH:40])[c:36]1[CH2:37][CH2:38][CH3:39].[OH:6][CH2:7][c:8]1[cH:9][c:10]([S:14][c:15]2[cH:16][c:17]([C:18]#[N:19])[cH:20][cH:21][cH:22]2)[cH:11][cH:12][cH:13]1>>[O:6]([CH2:7][c:8]1[cH:9][c:10]([S:14][c:15]2[cH:16][c:17]([C:18]#[N:19])[cH:20][cH:21][cH:22]2)[cH:11][cH:12][cH:13]1)[c:35]1[cH:34][cH:33][c:32]([C:41]([CH3:42])=[O:43])[c:31]([OH:30])[c:36]1[CH2:37][CH2:38][CH3:39]
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 19660Carbonate IonHCID 31297Methanesulfonyl chlorideHCID 104967Cesium cation2회
HCID 2775198
2',4'-Dihydroxy-3'-propylacetophenone
HCID 685357363-(3-Hydroxymethyl-phenylsulfanyl)-benzonitrile

생성물 1

HCID 685357773-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenylsulfanyl]-benzonitrile

출처 및 근거

ORD 기록
ord-6ff7cacace6a4cb0b52f4037d38c4ed4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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