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Chloride → 5-[3-chloro-4-(methylsulfonyl)phenyl]-6-(tetrahydro-2H-pyran-4-yl)-1-[5-[(tetrahydro-2H-pyran-2-yloxy)methyl]-1,3-thiazol-2-yl]hexane-1,4-dione

HRID 1557973
노트
인쇄 미리보기

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HRID 1557973 반응식
[CH2:50]([n+:51]1[c:52]([CH3:53])[c:54]([CH2:55][CH2:56][OH:57])[s:58][cH:59]1)[c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:46][CH2:47][OH:48].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[Cl-:49].[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13]([CH:14]=[CH2:15])=[O:16])[CH2:17][CH:18]2[CH2:19][CH2:20][O:21][CH2:22][CH2:23]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11].[O:24]1[CH:25]([O:30][CH2:31][c:32]2[cH:33][n:34][c:35]([CH:37]=[O:38])[s:36]2)[CH2:26][CH2:27][CH2:28][CH2:29]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13]([CH2:14][CH2:15][C:37]([c:35]2[n:34][cH:33][c:32]([CH2:31][O:30][CH:25]3[O:24][CH2:29][CH2:28][CH2:27][CH2:26]3)[s:36]2)=[O:38])=[O:16])[CH2:17][CH:18]2[CH2:19][CH2:20][O:21][CH2:22][CH2:23]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 312ChlorideHCID 702EthanolHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 4253053-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-iumHCID 593312984-[3-chloro-4-(methylsulfonyl)phenyl]-5-(tetrahydro-2H-pyran-4-yl)pent-1-en-3-one
HCID 59331305
5-[(tetrahydro-2H-pyran-2-yloxy)methyl]-1,3-thiazole-2-carbaldehyde

생성물 1

HCID 593314655-[3-chloro-4-(methylsulfonyl)phenyl]-6-(tetrahydro-2H-pyran-4-yl)-1-[5-[(tetrahydro-2H-pyran-2-yloxy)methyl]-1,3-thiazol-2-yl]hexane-1,4-dione

출처 및 근거

ORD 기록
ord-e3bdc02ba6ed495ba43119c2e0ba630d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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