Acetone → HCID 178465098, 화합물
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[C:1]([O:2][CH2:3][CH2:4][CH2:5][CH2:6][Cl:7])([O:8][CH:9]1[CH:10]([CH:26]=[CH:27][CH:28]([CH2:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[OH:37])[CH:11]([CH2:15][CH:16]=[CH:17][CH2:18][CH2:19][CH2:20][C:21](=[O:22])[NH:23][CH2:24][CH3:25])[CH:12]([OH:14])[CH2:13]1)=[O:38].[CH3:41][C:42](=[O:43])[CH3:44].[I-:40].[Na+:39]>>[C:1]([O:2][CH2:3][CH2:4][CH2:5][CH2:6][I:40])([O:8][CH:9]1[CH:10]([CH:26]=[CH:27][CH:28]([CH2:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[OH:37])[CH:11]([CH2:15][CH:16]=[CH:17][CH2:18][CH2:19][CH2:20][C:21](=[O:22])[NH:23][CH2:24][CH3:25])[CH:12]([OH:14])[CH2:13]1)=[O:38]참가 물질
5
출처 및 근거
- ORD 기록
- ord-f4c557acfc7a4c6f9a7a34c01d460c01
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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