Ethanol → Benzoic acid, 3,5-bis(dodecyloxy)-
반응식
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[O:13][c:14]1[cH:15][c:16]([C:17](=[O:18])[O:19][CH3:20])[cH:21][c:22]([O:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[cH:23]1.[CH3:37][CH2:38][OH:39].[K+:41].[OH-:40].[OH2:42]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[O:13][c:14]1[cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:21][c:22]([O:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[cH:23]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-0fb1b83198ba4b839537c37de216a630
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)