[(4-tert-Butyl-benzenesulfonyl)-(3-dimethylamino-phenyl)-amino]-acetic acid → 2-[(4-tert-Butyl-benzenesulfonyl)-(3-dimethylamino-phenyl)-amino]-N-(6-dimethylamino-pyridin-2-ylmethyl)-N-ethyl-acetamide
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[N:14]([c:15]2[cH:16][c:17]([N:21]([CH3:22])[CH3:23])[cH:18][cH:19][cH:20]2)[CH2:24][C:25](=[O:26])[OH:27])[cH:9][cH:10]1.[CH2:28]([CH3:29])[NH:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][c:36]([N:38]([CH3:39])[CH3:40])[n:37]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[N:14]([c:15]2[cH:16][c:17]([N:21]([CH3:22])[CH3:23])[cH:18][cH:19][cH:20]2)[CH2:24][C:25](=[O:27])[N:30]([CH2:28][CH3:29])[CH2:31][c:32]2[cH:33][cH:34][cH:35][c:36]([N:38]([CH3:39])[CH3:40])[n:37]2)[cH:9][cH:10]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-ff012c4173cc4c939a4c1b6442df7257
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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