N-Isopropylpropane-1,3-diamine → 5-[3-(3-Isopropylamino-propyl)-ureido]-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazole-4-carboxylic Acid Amide
반응식
[CH:31]([CH3:32])([CH3:33])[NH:34][CH2:35][CH2:36][CH2:37][NH2:38].[c:1]1([O:2][C:8]([NH:9][c:10]2[c:11]([C:27]([NH2:28])=[O:29])[c:12]([O:15][CH2:16][c:17]3[c:18]([F:26])[c:19]([F:25])[c:20]([CH3:24])[cH:21][c:22]3[F:23])[n:13][s:14]2)=[O:30])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[C:8]([NH:9][c:10]1[c:11]([C:27]([NH2:28])=[O:29])[c:12]([O:15][CH2:16][c:17]2[c:18]([F:26])[c:19]([F:25])[c:20]([CH3:24])[cH:21][c:22]2[F:23])[n:13][s:14]1)(=[O:30])[NH:38][CH2:37][CH2:36][CH2:35][NH:34][CH:31]([CH3:32])[CH3:33]참가 물질
3
출처 및 근거
- ORD 기록
- ord-588e73017da94273b9a79e57861f0cc3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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