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Palladium → 4-[3-(2-Oxo-1,2-dihydro-quinolin-6-ylsulfanyl)-phenyl]-tetrahydro-pyran-4-carbonitrile

HRID 314884
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HRID 314884 반응식
[CH2:79]1[O:80][CH2:81][CH2:82][O:83][CH2:84]1.[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[I:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7](=[O:12])[nH:8][c:9]2[cH:10][cH:11]1.[O:105]=[C:106]([CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1)[CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[O:123]=[C:124]([CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1)[CH:133]=[CH:134][c:135]1[cH:136][cH:137][cH:138][cH:139][cH:140]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[Pd:85].[Pd:86].[SH:13][c:14]1[cH:15][c:16]([C:20]2([C:26]#[N:27])[CH2:21][CH2:22][O:23][CH2:24][CH2:25]2)[cH:17][cH:18][cH:19]1.[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[c:46]3[c:70]([cH:71][cH:72][cH:73]2)[C:67]([CH3:68])([CH3:69])[c:49]2[c:48]([c:53]([P:54]([c:55]4[cH:56][cH:57][cH:58][cH:59][cH:60]4)[c:61]4[cH:62][cH:63][cH:64][cH:65][cH:66]4)[cH:52][cH:51][cH:50]2)[O:47]3)[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[c:2]1([S:13][c:14]2[cH:15][c:16]([C:20]3([C:26]#[N:27])[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[cH:17][cH:18][cH:19]2)[cH:3][c:4]2[cH:5][cH:6][c:7](=[O:12])[nH:8][c:9]2[cH:10][cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 23938Palladium2회HCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 95417Dibenzylidene acetone3회HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 138361846-Iodoquinolin-2(1H)-one
HCID 18786386
4-(3-Mercapto-phenyl)-tetrahydro-pyran-4-carbonitrile

생성물 1

HCID 589265284-[3-(2-Oxo-1,2-dihydro-quinolin-6-ylsulfanyl)-phenyl]-tetrahydro-pyran-4-carbonitrile

출처 및 근거

ORD 기록
ord-20dd8e59e0eb4fe1877c5c9d00092d9b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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