Acetate → HCID 68710897, 화합물
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[C:23]([O:24][C:25](=[O:26])[CH3:27])(=[O:28])[CH3:29].[CH3:19][C:20](=[O:21])[O-:22].[CH3:39][CH2:40][OH:41].[ClH:15].[ClH:32].[NH2:16][OH:17].[Na+:18].[Na+:31].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[OH-:30].[OH2:38].[OH:1][c:2]1[cH:3][cH:4][c:5]([CH:13]=[O:14])[c:6]2[c:7]1[CH2:8][C:9]([CH3:11])([CH3:12])[O:10]2>>[OH:1][c:2]1[cH:3][cH:4][c:5]([C:13]#[N:16])[c:6]2[c:7]1[CH2:8][C:9]([CH3:11])([CH3:12])[O:10]2참가 물질
11
출처 및 근거
- ORD 기록
- ord-712d3a8562a14b5c89596779147ed0e7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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