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Sodium Ion → HCID 16665205, 화합물

HRID 286937
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HRID 286937 반응식
[Br:18][c:19]1[c:20]([F:33])[cH:21][c:22]([C:23](=[O:24])[NH:25][CH:26]([CH2:27][CH3:28])[CH2:29][CH3:30])[cH:31][cH:32]1.[CH3:1][O:2][C:3]([CH:4]([N:5]1[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]1)[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)=[O:17].[CH3:34][C:35]([CH3:36])([O-:37])[CH3:38].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Na+:39].[O:49]=[C:50]([CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[O:67]=[C:68]([CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[Pd:47].[Pd:48]>>[CH3:1][O:2][C:3]([CH:4]([N:5]1[CH2:6][CH2:7][N:8]([c:19]2[c:20]([F:33])[cH:21][c:22]([C:23](=[O:24])[NH:25][CH:26]([CH2:27][CH3:28])[CH2:29][CH3:30])[cH:31][cH:32]2)[CH2:9][CH2:10]1)[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)=[O:17]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium IonHCID 1140TolueneHCID 23938Palladium2회HCID 95417Dibenzylidene acetone3회HCID 4250546Methyl phenyl-piperazin-1-YL-acetateHCID 45749132-Methylpropan-2-olateHCID 48474221HCID 48474221, 화합물

생성물

1
HCID 16665205HCID 16665205, 화합물

출처 및 근거

ORD 기록
ord-6131871df2e14f5fbc099450c6c9ae59
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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