Morpholine → 7-{[2-Chloro-3-(trifluoromethyl)phenyl]carbonyl}-3-(4-morpholinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

반응식

[Br:1][c:2]1[n:3][n:4][c:5]2[n:6]1[CH2:7][CH2:8][N:9]([C:11](=[O:12])[c:13]1[c:14]([Cl:23])[c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]1)[CH2:10]2.[CH2:24]1[CH2:25][O:26][CH2:27][CH2:28][NH:29]1>>[c:2]1([N:29]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[n:3][n:4][c:5]2[n:6]1[CH2:7][CH2:8][N:9]([C:11](=[O:12])[c:13]1[c:14]([Cl:23])[c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]1)[CH2:10]2

참가 물질

반응물 2

HCID 8083Morpholine

HCID 665992213-Bromo-7-{[2-chloro-3-(trifluoromethyl)phenyl]carbonyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

생성물 1

HCID 665989707-{[2-Chloro-3-(trifluoromethyl)phenyl]carbonyl}-3-(4-morpholinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

출처 및 근거

ORD 기록: ord-93844fcc2e3b4a47bd7cd2fcf449bf75
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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