Toluene → HCID 56984131, 화합물
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[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[OH:1][c:2]1[cH:3][c:4]2[cH:5][c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[n:12][c:13]2[c:14]([Cl:16])[cH:15]1.[P:24]([O:25][CH3:26])([S:27][CH2:28][CH2:29][CH3:30])([Cl:31])=[O:32]>>[O:1]([c:2]1[cH:3][c:4]2[cH:5][c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[n:12][c:13]2[c:14]([Cl:16])[cH:15]1)[P:24]([O:25][CH3:26])([S:27][CH2:28][CH2:29][CH3:30])=[O:32]참가 물질
5
출처 및 근거
- ORD 기록
- ord-ccd3c88596a94f29ac0df1a972cfef80
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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