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Acetate → 5-[[4-[(4-Decanoyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methylene]-2-thioxo-4-thiazolidinone

HRID 107075
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HRID 107075 반응식
[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10])(=[O:11])[c:12]1[c:13]([OH:31])[c:14]([CH2:28][CH2:29][CH3:30])[c:15]([O:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([CH:22]=[O:23])[cH:24][cH:25]2)[cH:26][cH:27]1.[CH3:48][C:49](=[O:50])[O-:51].[CH3:52][C:53](=[O:54])[OH:55].[CH:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)=[O:46].[Na+:47].[S:32]1[C:33](=[S:34])[NH:35][C:36](=[O:37])[CH2:38]1>>[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10])(=[O:11])[c:12]1[c:13]([OH:31])[c:14]([CH2:28][CH2:29][CH3:30])[c:15]([O:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([CH:22]=[C:38]3[S:32][C:33](=[S:34])[NH:35][C:36]3=[O:37])[cH:24][cH:25]2)[cH:26][cH:27]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 175AcetateHCID 176Acetic AcidHCID 240BenzaldehydeHCID 923Sodium IonHCID 1201546RhodanineHCID 211912474-[(4-Decanoyl-3-hydroxy-2-propylphenoxy)methyl]benzaldehyde

생성물 1

HCID 86752517
5-[[4-[(4-Decanoyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methylene]-2-thioxo-4-thiazolidinone

출처 및 근거

ORD 기록
ord-e19848a66d5e4c919a6215818bc3cab3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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