2-(Methylthio)benzylamine → [4-[3-({[2-(Methylthio)Benzyl]Amino}Methyl)Phenyl]-8-(Trifluoromethyl)Quinolin-3-yl](Phenyl)Methanone
반응식
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[cH:10][n:11][c:12]2[c:13]([C:27]([F:28])([F:29])[F:30])[cH:14][cH:15][cH:16][c:17]2[c:18]1-[c:19]1[cH:20][c:21]([CH:22]=[O:23])[cH:24][cH:25][cH:26]1.[CH3:31][S:32][c:33]1[c:34]([CH2:35][NH2:36])[cH:37][cH:38][cH:39][cH:40]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[cH:10][n:11][c:12]2[c:13]([C:27]([F:28])([F:29])[F:30])[cH:14][cH:15][cH:16][c:17]2[c:18]1-[c:19]1[cH:20][c:21]([CH2:22][NH:36][CH2:35][c:34]2[c:33]([S:32][CH3:31])[cH:40][cH:39][cH:38][cH:37]2)[cH:24][cH:25][cH:26]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-c9938652172840ecbb52695a9cc093cb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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