Methanol → HCID 21947127, 화합물
반응식
[CH3:1][C:2]1=[C:3]([CH2:10][CH2:11][C:12]([CH3:13])=[O:14])[C:4]([CH3:8])([CH3:9])[CH2:5][CH2:6][CH2:7]1.[CH3:27][OH:28].[NH2:22][CH2:23][CH2:24][CH2:25][OH:26].[Na+:15].[Na+:16].[O-:17][S:18](=[O:19])(=[O:20])[O-:21]>>[CH3:1][C:2]1=[C:3]([CH2:10][CH2:11][C:12]2([CH3:13])[O:14][CH2:25][CH2:24][CH2:23][NH:22]2)[C:4]([CH3:8])([CH3:9])[CH2:5][CH2:6][CH2:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-9b5b554e264543e88d82d3beece24449
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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