Water → HCID 21697166, 화합물
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[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH:16]([C:17](=[O:18])[OH:19])[NH:20][S:21](=[O:22])(=[O:23])[c:24]2[cH:25][cH:26][c:27]([N:30]3[CH2:31][CH2:32][CH:33]([c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[CH2:34][CH2:35]3)[cH:28][cH:29]2)[cH:13][cH:14]1.[OH2:49].[OH:42][C:43]([C:44]([F:45])([F:46])[F:47])=[O:48].[c:50]1([S:51][CH3:52])[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[OH:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH:16]([C:17](=[O:18])[OH:19])[NH:20][S:21](=[O:22])(=[O:23])[c:24]2[cH:25][cH:26][c:27]([N:30]3[CH2:31][CH2:32][CH:33]([c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[CH2:34][CH2:35]3)[cH:28][cH:29]2)[cH:13][cH:14]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-98738d3d38c749ce81ba8eddc9b55912
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
- DOI