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Methylparaben → Tert-butyl 2-[(4-methoxycarbonylphenoxy)methyl]-5-methylpyrrolidine-1-carboxylate

HRID 1551598
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반응식

HRID 1551598 반응식
[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH:9]([CH2:14][OH:15])[CH2:10][CH2:11][CH:12]1[CH3:13].[O:46]=[C:47]([O:48][CH:49]([CH3:50])[CH3:51])[N:52]=[N:53][C:54]([O:55][CH:56]([CH3:57])[CH3:58])=[O:59].[OH:35][c:36]1[cH:37][cH:38][c:39]([C:40](=[O:41])[O:42][CH3:43])[cH:44][cH:45]1.[c:16]1([P:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH:9]([CH2:14][O:15][c:36]2[cH:37][cH:38][c:39]([C:40](=[O:41])[O:42][CH3:43])[cH:44][cH:45]2)[CH2:10][CH2:11][CH:12]1[CH3:13]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 7456MethylparabenHCID 11776TriphenylphosphineHCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 23511987Tert-butyl 2-(hydroxymethyl)-5-methylpyrrolidine-1-carboxylate

생성물 1

HCID 23512078Tert-butyl 2-[(4-methoxycarbonylphenoxy)methyl]-5-methylpyrrolidine-1-carboxylate

출처 및 근거

ORD 기록
ord-26df56aed9b7479da826dfe5fe834cdd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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