Ethanol → N-[2-[8-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]-6H-benzo[c][1]benzoxepin-11-ylidene]ethylidene]hydroxylamine
반응식
[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[n:7]([CH2:14][c:15]3[cH:16][c:17]4[c:18]([cH:31][cH:32]3)[C:19](=[CH:28][C:29]#[N:30])[c:20]3[c:21]([cH:24][cH:25][cH:26][cH:27]3)[O:22][CH2:23]4)[c:8]([CH2:11][CH2:12][CH3:13])[n:9][c:10]12.[CH3:36][CH2:37][OH:38].[NH2:33][OH:34].[OH2:35]>>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[n:7]([CH2:14][c:15]3[cH:16][c:17]4[c:18]([cH:31][cH:32]3)[C:19](=[CH:28][CH:29]=[N:30][OH:34])[c:20]3[c:21]([cH:24][cH:25][cH:26][cH:27]3)[O:22][CH2:23]4)[c:8]([CH2:11][CH2:12][CH3:13])[n:9][c:10]12참가 물질
5
출처 및 근거
- ORD 기록
- ord-dd9a6d7d09634bf5900900b7894f7483
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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