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Ammonia → 2-methyl-N-[3-[1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]propanamide

HRID 195965
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HRID 195965 반응식
[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[Cl:77][CH:78]([Cl:79])[Cl:80].[F:29][C:30]([c:31]1[cH:32][cH:33][c:34]([OH:37])[cH:35][cH:36]1)([F:38])[F:39].[NH3:71].[O:59]=[C:60]([O:61][CH2:62][CH3:63])[N:64]=[N:65][C:66]([O:67][CH2:68][CH3:69])=[O:70].[OH:1][CH:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][CH:8]([c:11]2[cH:12][c:13]([NH:17][C:18]([CH:19]([CH3:20])[CH3:21])=[O:22])[cH:14][cH:15][cH:16]2)[CH2:9][CH2:10]1)[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[O:1]([CH:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][CH:8]([c:11]2[cH:12][c:13]([NH:17][C:18]([CH:19]([CH3:20])[CH3:21])=[O:22])[cH:14][cH:15][cH:16]2)[CH2:9][CH2:10]1)[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:34]1[cH:33][cH:32][c:31]([C:30]([F:29])([F:38])[F:39])[cH:36][cH:35]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 222AmmoniaHCID 6212ChloroformHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 678744-(Trifluoromethyl)phenolHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 22048590N-[3-[1-(3-hydroxy-3-phenylpropyl)piperidin-4-yl]phenyl]-2-methylpropanamide

생성물 1

HCID 220487762-methyl-N-[3-[1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]propanamide

출처 및 근거

ORD 기록
ord-ab7bddd193004414bb217911d9f8420f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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