Toluene → 2-Chloro-5-[[[3-[(1-methylethyl)amino]propyl]amino]methyl]-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide
반응식
[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH:24]([CH3:25])([CH3:26])[NH:27][CH2:28][CH2:29][CH2:30][NH2:31].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8]23[CH2:9][CH:10]4[CH2:11][CH:12]([CH2:13][CH:14]([CH2:15]2)[CH2:16]4)[CH2:17]3)[cH:18][c:19]([CH:22]=[O:23])[cH:20][cH:21]1.[c:32]1([CH3:33])[cH:34][cH:35][c:36]([S:37]([OH:38])(=[O:39])=[O:40])[cH:41][cH:42]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8]23[CH2:9][CH:10]4[CH2:11][CH:12]([CH2:13][CH:14]([CH2:15]2)[CH2:16]4)[CH2:17]3)[cH:18][c:19]([CH2:22][NH:31][CH2:30][CH2:29][CH2:28][NH:27][CH:24]([CH3:25])[CH3:26])[cH:20][cH:21]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-7c1d6643242b407bb799099bc156f063
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
반응 노트
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