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Sodium Ion → Tert-butyl 4-[5-(ethoxymethyl)-2-methyl-3-(2-pyrrolidin-1-ylethylamino)phenyl]piperazine-1-carboxylate

HRID 190224
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HRID 190224 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH3:25])[c:16]([Br:24])[cH:17][c:18]([CH2:20][O:21][CH2:22][CH3:23])[cH:19]2)[CH2:12][CH2:13]1.[CH3:36][C:37]([CH3:38])([O-:39])[CH3:40].[N:26]1([CH2:31][CH2:32][NH2:33])[CH2:27][CH2:28][CH2:29][CH2:30]1.[N:34]#[N:35].[Na+:41].[O:44]=[C:45]([CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[O:62]=[C:63]([CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[O:98]1[CH2:99][CH2:100][O:101][CH2:102][CH2:103]1.[Pd:42].[Pd:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH3:25])[c:16]([NH:33][CH2:32][CH2:31][N:26]3[CH2:27][CH2:28][CH2:29][CH2:30]3)[cH:17][c:18]([CH2:20][O:21][CH2:22][CH3:23])[cH:19]2)[CH2:12][CH2:13]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 923Sodium IonHCID 947NitrogenHCID 13441-PyrrolidineethanamineHCID 23938Palladium2회HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3회HCID 45749132-Methylpropan-2-olate
HCID 69244466
Tert-butyl 4-[3-bromo-5-(ethoxymethyl)-2-methylphenyl]piperazine-1-carboxylate

생성물 1

HCID 69245092Tert-butyl 4-[5-(ethoxymethyl)-2-methyl-3-(2-pyrrolidin-1-ylethylamino)phenyl]piperazine-1-carboxylate

출처 및 근거

ORD 기록
ord-0d0740f99cb94ad4b12c85aca9635485
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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