Triphenylphosphine → [2-(2-Fluoro-1-fluoromethyl-ethoxy)-5-nitro-phenyl]-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-methanone

HRID 143638

반응식

HRID 143638 반응식
[F:29][CH2:30][CH:31]([CH2:32][F:33])[OH:34].[OH:1][c:2]1[c:3]([C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]3)[CH2:17][CH2:18]2)[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[O:1]([c:2]1[c:3]([C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]3)[CH2:17][CH2:18]2)[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1)[CH:31]([CH2:30][F:29])[CH2:32][F:33]

참가 물질

4

반응물 3

HCID 11776TriphenylphosphineHCID 679851,3-Difluoro-2-propanolHCID 69036826(2-Hydroxy-5-nitro-phenyl)-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-methanone

생성물 1

HCID 69038209[2-(2-Fluoro-1-fluoromethyl-ethoxy)-5-nitro-phenyl]-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-methanone

출처 및 근거

ORD 기록
ord-19309a4d186a48e79b85f3aca2d8f3b7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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