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Methyl Acrylate → Tert-butyl 2-[4-(3-methoxy-3-oxoprop-1-enyl)phenyl]pyrrolidine-1-carboxylate

HRID 190458
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HRID 190458 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([c:13]2[cH:14][cH:15][c:16]([Br:19])[cH:17][cH:18]2)[CH2:10][CH2:11][CH2:12]1.[C:34]([CH:35]=[CH2:36])(=[O:37])[O:38][CH3:39].[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[CH3:20][N:21]([CH:22]1[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]1)[CH:28]1[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1.[O:48]=[C:49]([CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[Pd:46].[Pd:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([c:13]2[cH:14][cH:15][c:16]([CH:36]=[CH:35][C:34](=[O:37])[O:38][CH3:39])[cH:17][cH:18]2)[CH2:10][CH2:11][CH2:12]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 7294Methyl AcrylateHCID 23938Palladium2회HCID 24210N-Methyl dicyclohexylamineHCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3회HCID 53407516tert-Butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate

생성물 1

HCID 67158476
Tert-butyl 2-[4-(3-methoxy-3-oxoprop-1-enyl)phenyl]pyrrolidine-1-carboxylate

출처 및 근거

ORD 기록
ord-ae347313a892486484c1b1ebfca2e19f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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