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Cyclohexylamine → 1-[2-(Tert-butoxycarbonyl)-3-(2-methoxyethoxy)propyl]-1-cyclopentanecarboxylic acid

HRID 201224
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HRID 201224 반응식
[C:31]([O:32][C:33]([N:34]1[CH2:35][CH:36]([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[CH2:50][C:51]1([P:52]([c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[CH2:65][P:66]([c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)=[O:79])([CH3:80])([CH3:81])[CH3:82].[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[C:15](=[CH:16][C:17]1([C:22](=[O:23])[OH:24])[CH2:18][CH2:19][CH2:20][CH2:21]1)[CH2:25][O:26][CH2:27][CH2:28][O:29][CH3:30].[CH:1]1([NH2:2])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1>>[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[CH:15]([CH2:16][C:17]1([C:22](=[O:23])[OH:24])[CH2:18][CH2:19][CH2:20][CH2:21]1)[CH2:25][O:26][CH2:27][CH2:28][O:29][CH3:30]
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참가 물질

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반응물 3

HCID 7965CyclohexylamineHCID 23176947Tert-butyl 2,4-bis(diphenylphosphanyl)-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylateHCID 539412801-[2-(2-Methoxyethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]cyclopentane-1-carboxylic acid

생성물 1

HCID 110674891-[2-(Tert-butoxycarbonyl)-3-(2-methoxyethoxy)propyl]-1-cyclopentanecarboxylic acid

출처 및 근거

ORD 기록
ord-7261198b16d846eda2fc97bbfac9a537
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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