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Carbonochloridate → 2,2,2-trichloroethyl (3RS,4RS)-4-[3-(3-hydroxy-propoxy)-phenyl]-3-(naphthalen-2-ylmethoxy)-piperidine-1-carboxylate

HRID 92231
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인쇄 미리보기

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HRID 92231 반응식
[CH2:1]([N:2]1[CH2:3][CH2:4][CH:5]([c:6]2[cH:7][cH:8][cH:9][c:10]([O:11][CH2:12][CH2:13][CH2:14][O:15][CH:16]3[CH2:17][CH2:18][CH2:19][CH2:20][O:21]3)[cH:22]2)[CH:23]([O:24][CH2:25][c:26]2[cH:27][cH:28][c:29]3[c:30]([cH:31][cH:32][cH:33][cH:34]3)[cH:35]2)[CH2:36]1)[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:43][C:44]([O-:45])=[O:46].[cH:47]1[c:48]([CH2:57][O:58][CH:59]2[CH2:60][N:61]([C:82](=[O:83])[O:84][CH2:85][C:86]([Cl:87])([Cl:88])[Cl:89])[CH2:62][CH2:63][CH:64]2[c:65]2[cH:66][c:67]([O:71][CH2:72][CH2:73][CH2:74][O:75][CH:76]3[CH2:77][CH2:78][CH2:79][CH2:80][O:81]3)[cH:68][cH:69][cH:70]2)[cH:49][cH:50][c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]12>>[cH:47]1[c:48]([CH2:57][O:58][CH:59]2[CH2:60][N:61]([C:82](=[O:83])[O:84][CH2:85][C:86]([Cl:87])([Cl:88])[Cl:89])[CH2:62][CH2:63][CH:64]2[c:65]2[cH:66][c:67]([O:71][CH2:72][CH2:73][CH2:74][OH:75])[cH:68][cH:69][cH:70]2)[cH:49][cH:50][c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]12
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 21226386CarbonochloridateHCID 221269471-Benzyl-3-(naphthalen-2-ylmethoxy)-4-{3-[3-(tetrahydro-pyran-2-yloxy)-propoxy]-phenyl}-piperidineHCID 221273692,2,2-Trichloroethyl 3-(naphthalen-2-ylmethoxy)-4-{3-[3-(tetrahydro-pyran-2-yloxy)-propoxy]-phenyl}-piperidine-1-carboxylate

생성물 1

HCID 542319762,2,2-trichloroethyl (3RS,4RS)-4-[3-(3-hydroxy-propoxy)-phenyl]-3-(naphthalen-2-ylmethoxy)-piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-34bef385a23a447e8cf465fb2ac9276a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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