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Acetate → ethyl 4-[2-(8-ethylsulfanyl-5,5-dimethyl-6H-naphthalen-2-yl)ethenyl]benzoate

HRID 187882
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HRID 187882 반응식
[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8]([CH3:12])([CH3:13])[CH2:7][CH:6]=[C:5]2[S:14][CH2:15][CH3:16].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH:17](=[CH2:18])[c:19]1[cH:20][cH:21][c:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:28][cH:29]1.[O-:60][C:61]([CH3:62])=[O:63].[O-:64][C:65]([CH3:66])=[O:67].[Pd+2:59].[c:30]1([CH3:31])[cH:32][cH:33][cH:34][cH:35][c:36]1[P:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1[CH3:44])[c:45]1[cH:46][cH:47][cH:48][cH:49][c:50]1[CH3:51]>>[c:2]1([CH:18]=[CH:17][c:19]2[cH:20][cH:21][c:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:28][cH:29]2)[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8]([CH3:12])([CH3:13])[CH2:7][CH:6]=[C:5]2[S:14][CH2:15][CH3:16]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 175Acetate2회HCID 8471TriethylamineHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 10866858Ethyl 4-vinylbenzoateHCID 225715212-Bromo-5,6-dihydro-5,5-dimethyl8-(ethylthio)-naphthalene

생성물 1

HCID 54096906
ethyl 4-[2-(8-ethylsulfanyl-5,5-dimethyl-6H-naphthalen-2-yl)ethenyl]benzoate

출처 및 근거

ORD 기록
ord-6fceea8929284028b65dc213e38a37c9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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