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Toluene → 1-methyl-5-(3-nitro-5-vinylphenyl)-1H-tetraazole

HRID 101013
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HRID 101013 반응식
[Br:1][c:2]1[cH:3][c:4](-[c:11]2[n:12][n:13][n:14][n:15]2[CH3:16])[cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1.[CH2:17]([CH2:18][CH2:30][CH3:31])[C:19]([Sn:20])=[C:21]([CH2:22][CH2:23][CH2:24][CH3:25])[CH2:26][CH2:27][CH2:28][CH3:29].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[c:2]1([CH:17]=[CH2:18])[cH:3][c:4](-[c:11]2[n:12][n:13][n:14][n:15]2[CH3:16])[cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 1140TolueneHCID 222526903-bromo-5-nitrophenyl-1-methyl-1H-tetrazoleHCID 53438229Tri(butyl)vinyltinHCID 178420554HCID 178420554, 화합물

생성물 1

HCID 222526911-methyl-5-(3-nitro-5-vinylphenyl)-1H-tetraazole

출처 및 근거

ORD 기록
ord-ddbaaf3fc18546f38937552d12f3bc5a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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