Benzene → HCID 13755071, 화합물
반응식
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:9]2([OH:22])[CH2:10][N:11]([CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:12][CH2:13][CH2:14]2)[cH:7][cH:8]1.[c:23]1([CH3:24])[cH:25][cH:26][c:27]([S:28]([OH:29])(=[O:30])=[O:31])[cH:32][cH:33]1.[cH:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:9]2=[CH:10][N:11]([CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:12][CH2:13][CH2:14]2)[cH:7][cH:8]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-741946e4878349b48c9c2c942b42b012
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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