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1,2-Dichloroethane → 2-(2-Thianthrenyl)-propionic acid

HRID 200232
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HRID 200232 반응식
[Al+3:44].[C:35]([Cl:36])([C:37]([O:38][CH2:39][CH3:40])=[O:41])=[O:42].[Cl-:43].[Cl-:45].[Cl-:46].[Cl:77][CH2:78][CH2:79][Cl:80].[c:47]1([C:48](=[O:49])[C:50]([OH:51])=[O:52])[c:53]2[c:62]([cH:63][cH:64][cH:65]1)[S:61][c:56]1[c:55]([cH:60][cH:59][cH:58][cH:57]1)[S:54]2.[c:66]1([CH3:67])[cH:68][cH:69][c:70]([S:71]([OH:72])(=[O:73])=[O:74])[cH:75][cH:76]1.[c:81]1([CH3:82])[c:83]([CH3:84])[cH:85][cH:86][cH:87][cH:88]1.[cH:1]1[c:2]([C:15]([C:16](=[O:17])[OH:18])([CH3:19])[OH:20])[cH:3][cH:4][c:5]2[c:14]1[S:13][c:12]1[c:7]([cH:8][cH:9][cH:10][cH:11]1)[S:6]2.[cH:21]1[c:22]2[c:31]([cH:32][cH:33][cH:34]1)[S:30][c:25]1[c:24]([cH:29][cH:28][cH:27][cH:26]1)[S:23]2>>[cH:1]1[c:2]([CH:15]([C:16](=[O:17])[OH:18])[CH3:19])[cH:3][cH:4][c:5]2[c:14]1[S:13][c:12]1[c:7]([cH:8][cH:9][cH:10][cH:11]1)[S:6]2
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 111,2-DichloroethaneHCID 312Chloride3회HCID 6101p-Toluenesulfonic acidHCID 7109ThianthreneHCID 7237O-XyleneHCID 20884Ethoxalyl chlorideHCID 104727Aluminum Cation
HCID 21511227
2-(2-Thianthrenyl)-2-hydroxypropionic acid
HCID 681394412-Thianthrenylglyoxylic acid

생성물 1

HCID 215112502-(2-Thianthrenyl)-propionic acid

출처 및 근거

ORD 기록
ord-84b9e6fc233a42e3915a9802a3498157
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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