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Tetrahydrofuran → Tert-butyl 4-hydroxy-4-[5-(3-methyl-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate

HRID 2342367
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반응식

HRID 2342367 반응식
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:1][c:2]1[cH:3][c:4]([NH:13][c:14]2[n:15][cH:16][cH:17][c:18]([C:20]([F:21])([F:22])[F:23])[n:19]2)[cH:5][c:6](-[c:8]2[cH:9][n:10][cH:11][s:12]2)[cH:7]1.[CH3:25][CH:26]([N-:27][CH:28]([CH3:29])[CH3:30])[CH3:31].[Li+:24].[O:32]=[C:33]1[CH2:34][CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]1>>[CH3:1][c:2]1[cH:3][c:4]([NH:13][c:14]2[n:15][cH:16][cH:17][c:18]([C:20]([F:21])([F:22])[F:23])[n:19]2)[cH:5][c:6](-[c:8]2[cH:9][n:10][c:11]([C:33]3([OH:32])[CH2:34][CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]3)[s:12]2)[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 735900tert-Butyl 4-oxopiperidine-1-carboxylateHCID 5062348DiisopropylamideHCID 58456403N-[3-methyl-5-(1,3-thiazol-5-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine

생성물 1

HCID 58456305
Tert-butyl 4-hydroxy-4-[5-(3-methyl-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-6ec042d9262148ab9b23a39ef0aa776f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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