Water → HCID 178456518, 화합물
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[H:35][H:36].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([CH2:10][CH2:11][n:12]2[c:13](=[O:31])[n:14]([CH2:28][CH2:29][CH3:30])[c:15](=[O:27])[c:16]3[nH:17][c:18]([CH2:21][c:22]4[n:23][n:24][n:25][nH:26]4)[n:19][c:20]23)[cH:8][cH:9]1.[NH2:33][NH2:34].[OH2:32].[Pd:37]>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([CH2:10][CH2:11][n:12]2[c:13](=[O:31])[n:14]([CH2:28][CH2:29][CH3:30])[c:15](=[O:27])[c:16]3[nH:17][c:18]([CH2:21][c:22]4[n:23][n:24][n:25][nH:26]4)[n:19][c:20]23)[cH:8][cH:9]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-aebab5a4713e4f1daaa7b6dbe0268dbb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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