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

HRID 2322769
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HRID 2322769 반응식
[CH2:47]([n+:48]1[c:49]([CH3:50])[c:51]([CH2:52][CH2:53][OH:54])[s:55][cH:56]1)[c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:63][CH2:64][OH:65].[Cl-:46].[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:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH:24][CH:25]([CH3:26])[c:27]1[cH:28][n:29][c:30]([CH:32]=[O:33])[s:31]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13]([CH2:14][CH2:15][C:32]([c:30]2[n:29][cH:28][c:27]([CH:25]([OH:24])[CH3:26])[s:31]2)=[O:33])=[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 8028TetrahydrofuranHCID 8471TriethylamineHCID 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-oneHCID 59331383
5-(1-Hydroxyethyl)-1,3-thiazole-2-carbaldehyde

생성물 1

HCID 593313595-[3-chloro-4-(methylsulfonyl)phenyl]-1-[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione

출처 및 근거

ORD 기록
ord-33c1cedb75414268bd20312dd45648ff
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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