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Tetrahydrofuran → 4'-[(2-butyl-5-cyclohex-1-en-1-yl-4-methyl-6-oxopyrimidin-1(6H)-yl)methyl]biphenyl-2-carbonitrile

HRID 1564050
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HRID 1564050 반응식
[Br:1][c:2]1[c:3]([CH3:28])[n:4][c:5]([CH2:24][CH2:25][CH2:26][CH3:27])[n:6]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]2)[c:7]1=[O:8].[C:29]1([B:35]2[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]2)=[CH:30][CH2:31][CH2:32][CH2:33][CH2:34]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cs+:48].[Cs+:49].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1>>[c:2]1([C:29]2=[CH:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[c:3]([CH3:28])[n:4][c:5]([CH2:24][CH2:25][CH2:26][CH3:27])[n:6]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]2)[c:7]1=[O:8]
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참가 물질

7

반응물 6

HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 109326752-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneHCID 574600534'-[(5-bromo-2-butyl-4-methyl-6-oxopyrimidin-1(6H)-yl)methyl]biphenyl-2-carbonitrile

생성물 1

HCID 57460063
4'-[(2-butyl-5-cyclohex-1-en-1-yl-4-methyl-6-oxopyrimidin-1(6H)-yl)methyl]biphenyl-2-carbonitrile

출처 및 근거

ORD 기록
ord-5bdc616256704961a5e17ed0544a1ee3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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