Water → HCID 57460377, 화합물
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[B:35]([Br:36])([Br:37])[Br:38].[CH2:46]([Cl:47])[Cl:48].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[n:9]2[c:10]([CH3:34])[n:11][c:12]([CH2:31][CH2:32][CH3:33])[c:13]([CH2:16][c:17]3[cH:18][cH:19][c:20](-[c:23]4[c:24]([C:29]#[N:30])[cH:25][cH:26][cH:27][cH:28]4)[cH:21][cH:22]3)[c:14]2=[O:15])[cH:7][cH:8]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[OH2:45]>>[OH:2][c:3]1[cH:4][cH:5][c:6](-[n:9]2[c:10]([CH3:34])[n:11][c:12]([CH2:31][CH2:32][CH3:33])[c:13]([CH2:16][c:17]3[cH:18][cH:19][c:20](-[c:23]4[c:24]([C:29]#[N:30])[cH:25][cH:26][cH:27][cH:28]4)[cH:21][cH:22]3)[c:14]2=[O:15])[cH:7][cH:8]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-be98cd7de73a4846a715549a39fa16dd
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)