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Sodium Ion → 5-(3-Azidobut-1-enyl)-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole

HRID 1146648
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HRID 1146648 반응식
[C:1]([O:2][CH:5]([CH:6]=[CH:7][c:8]1[cH:9][n:10][c:11]([O:13][c:14]2[cH:15][cH:16][c:17]([O:20][CH:21]([CH3:22])[CH3:23])[cH:18][cH:19]2)[s:12]1)[CH3:24])(=[O:3])[CH3:4].[CH3:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34].[N-:26]=[N+:27]=[N-:28].[Na+:25].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([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)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([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)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([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)[cH:115][cH:116]1>>[CH:5]([CH:6]=[CH:7][c:8]1[cH:9][n:10][c:11]([O:13][c:14]2[cH:15][cH:16][c:17]([O:20][CH:21]([CH3:22])[CH3:23])[cH:18][cH:19]2)[s:12]1)([CH3:24])[N:26]=[N+:27]=[N-:28]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium IonHCID 8028TetrahydrofuranHCID 8058HexaneHCID 33558AzideHCID 670969764-[2-(4-Propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-yl acetateHCID 178420554HCID 178420554, 화합물

생성물 1

HCID 91177687
5-(3-Azidobut-1-enyl)-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole

출처 및 근거

ORD 기록
ord-aef9b0b57a4d402d952000214a2754ad
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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