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Propiconazole → Azaconazole

HRID 2345458
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HRID 2345458 반응식
[Cl:1][c:2]1[c:3]([C:9]2([CH2:15][n:16]3[n:17][cH:18][n:19][cH:20]3)[O:10][CH2:11][CH:12]([CH3:14])[O:13]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[Cl:21][c:22]1[cH:23][c:24]([Cl:25])[cH:26][cH:27][c:28]1[C:29]1([CH2:30][n:31]2[cH:32][n:33][cH:34][n:35]2)[O:36][CH:37]([CH2:38][CH3:39])[CH2:40][O:41]1.[Cl:42][c:43]1[cH:44][c:45]([Cl:46])[cH:47][cH:48][c:49]1[C:50]1([CH2:51][n:52]2[cH:53][n:54][cH:55][n:56]2)[O:57][CH:58]([CH2:59][CH2:60][CH3:61])[CH2:62][O:63]1.[Cl:64][c:65]1[cH:66][c:67]([Cl:68])[cH:69][cH:70][c:71]1[C:72]1([CH2:73][n:74]2[cH:75][n:76][cH:77][n:78]2)[O:79][CH:80]([CH2:81][CH2:82][CH2:83][CH2:84][CH3:85])[CH2:86][O:87]1>>[Cl:1][c:2]1[c:3]([C:9]2([CH2:15][n:16]3[n:17][cH:18][n:19][cH:20]3)[O:10][CH2:11][CH2:12][O:13]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1
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반응물 4

HCID 43234PropiconazoleHCID 91673EtaconazoleHCID 98798461-[[2-(2,4-Dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methyl]-1h-1,2,4-triazoleHCID 101559901-[[2-(2,4-Dichlorophenyl)-4-pentyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

생성물 1

HCID 43233Azaconazole

출처 및 근거

ORD 기록
ord-74e29471cc004333bde27591e0e0029d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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