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Potassium Cation → 2-Phenoxathiin-4-yl-6-morpholin-4-yl-pyran-4-one

HRID 103238
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HRID 103238 반응식
[C:32](=[O:33])([O-:34])[O-:35].[Cl:1][c:2]1[o:3][c:4]([N:9]2[CH2:10][CH2:11][O:12][CH2:13][CH2:14]2)[cH:5][c:6](=[O:8])[cH:7]1.[K+:36].[K+:37].[N:38]#[N:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[cH:15]1[cH:16][cH:17][c:18]([B:29]([OH:30])[OH:31])[c:19]2[c:28]1[S:27][c:26]1[c:21]([cH:22][cH:23][cH:24][cH:25]1)[O:20]2.[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[c:2]1(-[c:18]2[cH:17][cH:16][cH:15][c:28]3[c:19]2[O:20][c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[S:27]3)[o:3][c:4]([N:9]2[CH2:10][CH2:11][O:12][CH2:13][CH2:14]2)[cH:5][c:6](=[O:8])[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 947NitrogenHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27343764-Phenoxathiinylboronic AcidHCID 66052622-Chloro-6-morpholinopyran-4-oneHCID 178420554HCID 178420554, 화합물

생성물 1

HCID 221394522-Phenoxathiin-4-yl-6-morpholin-4-yl-pyran-4-one

출처 및 근거

ORD 기록
ord-f43bc36109f944d9a70f952d144fac17
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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