Hexane → 3,7,11,15-Tetramethylhexadec-2-enyl icosa-2,4,6,8,10-pentaenoate
反応式
[C:22]([CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=[CH:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])(=[O:42])[OH:43].[CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][CH2:6][CH:7]([CH3:8])[CH2:9][CH2:10][CH2:11][CH:12]([CH3:13])[CH2:14][CH2:15][CH2:16][C:17]([CH3:18])=[CH:19][CH2:20][OH:21].[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[CH3:50][CH2:51][CH2:52][CH2:53][CH2:54][CH:55]([CH3:56])[CH3:57]>>[CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][CH2:6][CH:7]([CH3:8])[CH2:9][CH2:10][CH2:11][CH:12]([CH3:13])[CH2:14][CH2:15][CH2:16][C:17]([CH3:18])=[CH:19][CH2:20][O:21][C:22]([CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=[CH:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])=[O:42]参加物
5
出典と根拠
- ORDレコード
- ord-ab403eae744d4d2296261c591e67202a
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)