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HRID 1541069노트

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HRID 1541069 반응식
[CH3:1][c:2]1[c:3]([CH:4]=[O:5])[cH:6][cH:7][c:8]([CH3:10])[cH:9]1.[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[NH2:11][c:12]1[cH:13][cH:14][c:15]([Cl:16])[cH:17][c:18]1[Cl:19].[c:20]1([CH3:21])[cH:22][cH:23][c:24]([S:25]([OH:26])(=[O:27])=[O:28])[cH:29][cH:30]1>>[CH3:1][c:2]1[c:3]([CH:4]=[N:11][c:12]2[cH:13][cH:14][c:15]([Cl:16])[cH:17][c:18]2[Cl:19])[cH:6][cH:7][c:8]([CH3:10])[cH:9]1

참가 물질

5

출처 및 근거

ORD 기록
ord-fc0a5221f98d41c3bc3f0678f9bae0b4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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