Benzene → HCID 54335978, 화합물
반응식
[CH3:28][CH2:29][O-:30].[CH3:31][C:32]#[N:33].[Na+:27].[O:1]=[C:2]1[CH2:3][C:4]2=[C:5]([c:6]3[c:7]([cH:15][cH:16][cH:17][cH:18]3)[O:8][c:9]3[c:10]2[cH:11][cH:12][cH:13][cH:14]3)[CH2:19][CH2:20]1.[cH:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[C:2]1(=[CH:31][C:32]#[N:33])[CH2:3][C:4]2=[C:5]([c:6]3[c:7]([cH:15][cH:16][cH:17][cH:18]3)[O:8][c:9]3[c:10]2[cH:11][cH:12][cH:13][cH:14]3)[CH2:19][CH2:20]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-974c70bb2b794879b362d0338f844c25
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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