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Sodium Ion → 5-(4-Methoxy-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-thiadiazole

HRID 1118469
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HRID 1118469 반응식
[C:30](=[O:31])([O-:32])[O-:33].[CH3:11][O:12][c:13]1[c:14]([CH3:22])[cH:15][c:16]([B:19]([OH:20])[OH:21])[cH:17][cH:18]1.[CH3:24][O:25][CH2:26][CH2:27][O:28][CH3:29].[Cl:1][c:2]1[n:3][c:4]([C:7]([F:8])([F:9])[F:10])[n:5][s:6]1.[Na+:34].[Na+:35].[OH2:23].[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112]1>>[c:2]1(-[c:16]2[cH:15][c:14]([CH3:22])[c:13]([O:12][CH3:11])[cH:18][cH:17]2)[n:3][c:4]([C:7]([F:8])([F:9])[F:10])[n:5][s:6]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium Ion2회HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 2773487(4-Methoxy-3-methylphenyl)boronic acidHCID 132795895-Chloro-3-(trifluoromethyl)-1,2,4-thiadiazoleHCID 178420554HCID 178420554, 화합물

생성물 1

HCID 593005345-(4-Methoxy-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-thiadiazole

출처 및 근거

ORD 기록
ord-3a05a65d972b4efca9de33a90ec47289
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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