Water → 2-nitro-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine
반응식
[Br:1][c:2]1[n:3][c:4]([N+:24](=[O:25])[O-:26])[n:5][n:6]1[CH:7]([CH2:8][CH2:9][O:10][Si:11]([C:12]([CH3:13])([CH3:14])[CH3:15])([CH3:16])[CH3:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[CH2:28]([N+:29]([CH2:30][CH2:31][CH2:32][CH3:33])([CH2:34][CH2:35][CH2:36][CH3:37])[CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH3:44].[F-:27].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:45]>>[c:2]12[n:3][c:4]([N+:24](=[O:25])[O-:26])[n:5][n:6]1[CH:7]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH2:8][CH2:9][O:10]2참가 물질
6
출처 및 근거
- ORD 기록
- ord-a5a9b59a40d8439497df08a108231f16
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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