Water → 2-Nitro-benzo[B]thiophene-3-carbonitrile
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[Br:1][c:2]1[c:3]2[c:4]([s:5][c:6]1[N+:7](=[O:8])[O-:9])[cH:10][cH:11][cH:12][cH:13]2.[Cu:14]([C:15]#[N:16])[C:17]#[N:18].[O:20]=[CH:21][N:22]([CH3:23])[CH3:24].[OH2:19]>>[c:2]1([C:15]#[N:16])[c:3]2[c:4]([s:5][c:6]1[N+:7](=[O:8])[O-:9])[cH:10][cH:11][cH:12][cH:13]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-75a9b8c1e86d4e80b0dc7ac53ab2cdb5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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