반응식
[CH3:1][O:2][c:3]1[c:4]([CH:17]=[O:18])[cH:5][c:6]2[c:11]([cH:12]1)[C:10]([CH3:13])([CH3:14])[CH2:9][CH2:8][C:7]2([CH3:15])[CH3:16].[Cl-:19].[ClH:22].[OH:20][NH3+:21].[cH:23]1[cH:24][cH:25][n:26][cH:27][cH:28]1>>[CH3:1][O:2][c:3]1[c:4]([CH:17]=[N:21][OH:20])[cH:5][c:6]2[c:11]([cH:12]1)[C:10]([CH3:13])([CH3:14])[CH2:9][CH2:8][C:7]2([CH3:15])[CH3:16]참가 물질
6
출처 및 근거
- ORD 기록
- ord-8ce15e8ef3f542a9970f1490c20c83ca
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
연결된 노트
불러오는 중…