Ethanol → HCID 54332237, 화합물
반응식
[C:3]([CH3:4])(=[O:5])[C:6]1([S:9][CH2:10][CH2:11][CH3:12])[CH2:7][CH2:8]1.[CH3:23][CH2:24][OH:25].[Cl:13][c:14]1[c:15]([CH:16]=[O:17])[cH:18][cH:19][c:20]([Cl:22])[cH:21]1.[Cl:27][CH2:28][Cl:29].[Na+:2].[OH-:1].[OH2:26]>>[C:3]([CH:4]=[CH:16][c:15]1[c:14]([Cl:13])[cH:21][c:20]([Cl:22])[cH:19][cH:18]1)(=[O:5])[C:6]1([S:9][CH2:10][CH2:11][CH3:12])[CH2:7][CH2:8]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-80c6fce9029246c1a6a0635b27f1d3e2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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