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[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[Cl:1][CH2:2][C:3]#[N:4].[F:5][c:6]1[cH:7][cH:8][c:9]([CH2:12][n:13]2[c:14]3[n:15][cH:16][n:17][cH:18][c:19]3[n:20][c:21]2[NH:22][CH:23]2[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]2)[cH:10][cH:11]1.[Na+:29].[Na+:30].[O-:31][C:32](=[O:33])[O-:34]>>[CH2:2]([C:3]#[N:4])[N:26]1[CH2:25][CH2:24][CH:23]([NH:22][c:21]2[n:13]([CH2:12][c:9]3[cH:8][cH:7][c:6]([F:5])[cH:11][cH:10]3)[c:14]3[n:15][cH:16][n:17][cH:18][c:19]3[n:20]2)[CH2:28][CH2:27]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-84ca4d254582426083d71c0ad8a5e05c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
연결된 노트
불러오는 중…