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Water → 2-{4-[2-(2,4-Dichloro-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-pyridin-2-yloxy}-1-morpholin-4-yl-ethanone

HRID 291370
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HRID 291370 반응식
[CH3:34][N:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][c:18]([O:22][CH2:23][C:24](=[O:25])[OH:26])[n:19][cH:20][cH:21]2)[CH3:27])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[O:28]1[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:70].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][c:18]([O:22][CH2:23][C:24](=[O:26])[N:31]3[CH2:30][CH2:29][O:28][CH2:33][CH2:32]3)[n:19][cH:20][cH:21]2)[CH3:27])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 962WaterHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 8083MorpholineHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 25254148HCID 25254148, 화합물

생성물 1

HCID 574212592-{4-[2-(2,4-Dichloro-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-pyridin-2-yloxy}-1-morpholin-4-yl-ethanone

출처 및 근거

ORD 기록
ord-143b6fa4a986417194f515a1dd16a0a2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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