Ethanol → 2-[2-(2-Dimethylaminomethyl-4-thiazolylmethylthio)ethyl]amino-5-(3-pyridyl)methyl-4-pyrimidone
반응식
[CH3:19][N:20]([CH3:21])[CH2:22][c:23]1[s:24][cH:25][c:26]([CH2:28][S:29][CH2:30][CH2:31][NH2:32])[n:27]1.[CH3:33][CH2:34][OH:35].[N+:1]([O-:2])(=[O:3])[NH:4][c:5]1[n:6][cH:7][c:8]([CH2:12][c:13]2[cH:14][n:15][cH:16][cH:17][cH:18]2)[c:9](=[O:11])[nH:10]1.[OH2:36]>>[NH:4]([c:5]1[n:6][cH:7][c:8]([CH2:12][c:13]2[cH:14][n:15][cH:16][cH:17][cH:18]2)[c:9](=[O:11])[nH:10]1)[CH2:31][CH2:30][S:29][CH2:28][c:26]1[cH:25][s:24][c:23]([CH2:22][N:20]([CH3:19])[CH3:21])[n:27]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-73c836742f554c80ab869d4e9d732fc8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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