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3-Phenylprop-2-Enal → 5-(4-Phenyl-1,3-butadienyl)-1,2-dithiol-3-thione

HRID 1558678
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HRID 1558678 반응식
[CH3:22][O:23][c:24]1[cH:25][cH:26][c:27]([CH:28]=[CH:29][CH:30]=[O:31])[cH:32][cH:33]1.[CH3:34][N:35]([CH3:36])[c:37]1[cH:38][cH:39][c:40]([CH:41]=[CH:42][CH:43]=[O:44])[cH:45][cH:46]1.[CH3:47][c:48]1[cH:49][cH:50][c:51]([CH:52]=[CH:53][CH:54]=[O:55])[cH:56][cH:57]1.[CH3:69][c:70]1[cH:71][c:72]([CH:76]=[CH:77][CH:78]=[O:79])[cH:73][cH:74][cH:75]1.[CH3:80][c:81]1[cH:82][c:83](=[S:86])[s:84][s:85]1.[Cl:11][c:12]1[cH:13][cH:14][c:15]([CH:16]=[CH:17][CH:18]=[O:19])[cH:20][cH:21]1.[Cl:58][c:59]1[cH:60][cH:61][cH:62][cH:63][c:64]1[CH:65]=[CH:66][CH:67]=[O:68].[O:1]=[CH:2][CH:3]=[CH:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1>>[CH:2]([CH:3]=[CH:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)=[CH:80][c:81]1[cH:82][c:83](=[S:86])[s:84][s:85]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 3073-Phenylprop-2-EnalHCID 922244-(Dimethylamino)-cinnamaldehydeHCID 1378993H-1,2-Dithiole-3-thione, 5-methyl-HCID 2309953-(4-Methoxyphenyl)prop-2-enalHCID 5829413-(p-Tolyl)acrylaldehydeHCID 30140423-(2-Chlorophenyl)prop-2-enalHCID 3794977p-Chlorocinnamaldehyde
HCID 534011273-Methylcinnamaldehyde

생성물 1

HCID 539425735-(4-Phenyl-1,3-butadienyl)-1,2-dithiol-3-thione

출처 및 근거

ORD 기록
ord-bf7edb816c0046d5a08ce6ec69228620
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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