Water → HCID 20224747, 화합물
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[CH3:25][N:26]([CH3:27])[CH:28]=[O:29].[Cl:1][c:2]1[c:3]([C:18](=[O:19])[OH:20])[cH:4][n:5][n:6]1-[c:7]1[c:8]([C:14]([F:15])([F:16])[F:17])[cH:9][c:10]([Cl:13])[cH:11][cH:12]1.[Na:21][C:22]#[N:23].[OH2:24]>>[c:2]1([C:22]#[N:23])[c:3]([C:18](=[O:19])[OH:20])[cH:4][n:5][n:6]1-[c:7]1[c:8]([C:14]([F:15])([F:16])[F:17])[cH:9][c:10]([Cl:13])[cH:11][cH:12]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-67e95d72278e40e9b136a2c16b95f0d7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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