4-Acetamido-3-chlorobenzoic acid → 1-[2-(4-Acetylamino-3-chloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid tert-butyl ester
반응식
[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20](=[O:21])[CH:22]1[N:23]([C:27]([CH:28]([CH3:29])[NH:30][C:31](=[O:32])[c:33]2[cH:34][cH:35][c:36]([NH2:37])[c:38]([Cl:39])[cH:40]2)=[O:41])[CH2:24][CH2:25][CH2:26]1.[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([Cl:14])[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13]1>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([Cl:14])[cH:7][c:8]([C:9](=[O:11])[NH:30][CH:28]([C:27]([N:23]2[CH:22]([C:20]([O:19][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:21])[CH2:26][CH2:25][CH2:24]2)=[O:41])[CH3:29])[cH:12][cH:13]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-fa1858faf1cb47d5ad707c51e82a23dc
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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