Bicarbonate Ion → 2-Amino-N-[(3,4-dichlorophenyl)methyl]benzenecarbothioamide
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[C:34](=[O:35])([OH:36])[O-:37].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][c:8]2[cH:9][c:10]([Cl:15])[c:11]([Cl:14])[cH:12][cH:13]2)[cH:16][cH:17][cH:18][cH:19]1.[Na+:38].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[P:20]12(=[S:21])[S:22][P:23]3(=[S:33])[S:24][P:25](=[S:31])([S:26][P:27](=[S:30])([S:28]3)[S:29]1)[S:32]2>>[NH2:1][c:2]1[c:3]([C:4]([NH:6][CH2:7][c:8]2[cH:9][c:10]([Cl:15])[c:11]([Cl:14])[cH:12][cH:13]2)=[S:21])[cH:16][cH:17][cH:18][cH:19]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-38c9124bcec148e19eb030e2189650c6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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