Hydrochloric Acid → HCID 68487959, 화합물
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[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:7][cH:8]1.[CH3:22][C:23]#[N:24].[ClH:21].[c:9]1([S:15][CH:16]=[CH:17][C:18](=[O:19])[Cl:20])[cH:10][cH:11][cH:12][cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][C:18]([CH:17]=[CH:16][S:15][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)=[O:19])[cH:7][cH:8]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-f94c3c95bf0b4422802ddb14eafc95bb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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