Sodium Ion → 8-ethenyl-13-methyl-11-[6-(methylamino)hexyl]-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
反応式
[CH3:1][NH2:2].[Cl:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]1[CH:17]2[c:18]3[cH:19][cH:20][c:21]([OH:37])[cH:22][c:23]3[CH2:24][CH2:25][C:26]2([CH:35]=[CH2:36])[CH:27]2[CH2:28][CH2:29][CH:30]([OH:34])[C:31]2([CH3:32])[CH2:33]1.[Na+:3].[Na+:4].[O-:5][C:6](=[O:7])[O-:8]>>[CH3:1][NH:2][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]1[CH:17]2[c:18]3[cH:19][cH:20][c:21]([OH:37])[cH:22][c:23]3[CH2:24][CH2:25][C:26]2([CH:35]=[CH2:36])[CH:27]2[CH2:28][CH2:29][CH:30]([OH:34])[C:31]2([CH3:32])[CH2:33]1参加物
5
出典と根拠
- ORDレコード
- ord-eee8e1678ade48e59c6be314b0fbd4b1
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)