5-Benzoyl-2-nitrobenzaldehyde → 2-(5-Benzoyl-2-nitro-benzylamino)-ethanesulfonic acid cyclohexyl-methyl-amide
반응식
[C:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)(=[O:22])[c:23]1[cH:24][cH:25][c:26]([N+:31](=[O:32])[O-:33])[c:27]([CH:28]=[O:29])[cH:30]1.[CH:1]1([N:7]([S:8](=[O:9])(=[O:10])[CH2:11][CH2:12][NH2:13])[CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1>>[CH:1]1([N:7]([S:8](=[O:9])(=[O:10])[CH2:11][CH2:12][NH:13][CH2:28][c:27]2[c:26]([N+:31](=[O:32])[O-:33])[cH:25][cH:24][c:23]([C:15]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)=[O:22])[cH:30]2)[CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-b6e93c83066141a08d5250375a697d42
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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