1,2-Dichloroethane → (3-{4-[1-(6-Cyano-pyridin-2-ylmethyl)-3-ethyl-ureido]-piperidin-1-yl}-butyl)-carbamic acid tert-butyl ester
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH:10]([CH3:11])[N:12]1[CH2:13][CH2:14][CH:15]([NH:18][CH2:19][c:20]2[n:21][c:22]([C:26]#[N:27])[cH:23][cH:24][cH:25]2)[CH2:16][CH2:17]1)=[O:28].[CH2:29]([CH3:30])[N:31]=[C:32]=[O:33].[Cl:34][CH2:35][CH2:36][Cl:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH:10]([CH3:11])[N:12]1[CH2:13][CH2:14][CH:15]([N:18]([CH2:19][c:20]2[n:21][c:22]([C:26]#[N:27])[cH:23][cH:24][cH:25]2)[C:32]([NH:31][CH2:29][CH3:30])=[O:33])[CH2:16][CH2:17]1)=[O:28]참가 물질
4
출처 및 근거
- ORD 기록
- ord-2fece9be9cbe48e0b855f2d33c13388f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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