Ethanol → 1-[(2-Hydroxy-1,2-dimethylpropyl)amino]-7-(2-pyridin-3-ylethyl)-5H-pyrido[4,3-b]indole-4-carboxamide
반응식
[CH3:34][CH2:35][OH:36].[H:1][H:2].[OH:3][C:4]([CH:5]([CH3:6])[NH:7][c:8]1[n:9][cH:10][c:11]([C:29](=[O:30])[NH2:31])[c:12]2[nH:13][c:14]3[cH:15][c:16]([C:21]#[C:22][c:23]4[cH:24][n:25][cH:26][cH:27][cH:28]4)[cH:17][cH:18][c:19]3[c:20]12)([CH3:32])[CH3:33]>>[OH:3][C:4]([CH:5]([CH3:6])[NH:7][c:8]1[n:9][cH:10][c:11]([C:29](=[O:30])[NH2:31])[c:12]2[nH:13][c:14]3[cH:15][c:16]([CH2:21][CH2:22][c:23]4[cH:24][n:25][cH:26][cH:27][cH:28]4)[cH:17][cH:18][c:19]3[c:20]12)([CH3:32])[CH3:33]참가 물질
4
출처 및 근거
- ORD 기록
- ord-080cff77a3c64398adefaaf16725b662
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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