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Propargyl alcohol → 4-[3-Hydroxy-1-propynyl]phenyl 2-[4-[2-(1-Pyrrolidinyl)ethoxy]phenyl]benzo[b]thiophen-3-yl Ketone

HRID 2126062
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인쇄 미리보기

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HRID 2126062 반응식
[Al:37].[CH2:33]([C:34]#[CH:35])[OH:36].[Cu:79][I:80].[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:24](=[O:25])[c:26]4[cH:27][cH:28][c:29]([I:32])[cH:30][cH:31]4)[c:17]4[c:18]([s:19]3)[cH:20][cH:21][cH:22][cH:23]4)[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Pd:38]([Cl:39])[Cl:40].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:24](=[O:25])[c:26]4[cH:27][cH:28][c:29]([C:35]#[C:34][CH2:33][OH:36])[cH:30][cH:31]4)[c:17]4[c:18]([s:19]3)[cH:20][cH:21][cH:22][cH:23]4)[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 7859Propargyl alcoholHCID 11776Triphenylphosphine2회HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 5359268AluminumHCID 211826284-Iodophenyl 2-[4-[2-(1-Pyrrolidinyl)ethoxy]phenyl]benzo[b]thiophen-3-yl Ketone

생성물 1

HCID 211829164-[3-Hydroxy-1-propynyl]phenyl 2-[4-[2-(1-Pyrrolidinyl)ethoxy]phenyl]benzo[b]thiophen-3-yl Ketone

출처 및 근거

ORD 기록
ord-3ec2d428fe4b4f8f9f725f9baf680e95
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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