Ethanol → 5-(2,3-Dihydrobenzo[1,4]dioxin-6-ylmethyl)-4-methylimidazole-1-sulfonic acid dimethylamide
반응식
[C-:38]#[N:39].[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[n:6]1[cH:7][n:8][c:9]([CH3:23])[c:10]1[CH:11]([OH:12])[c:13]1[cH:14][c:15]2[c:16]([cH:21][cH:22]1)[O:17][CH2:18][CH2:19][O:20]2)[CH3:24].[CH3:41][CH2:42][OH:43].[Na+:40].[S:25]([CH2:26][N+:27]#[C-:28])([c:29]1[cH:30][cH:31][c:32]([CH3:33])[cH:34][cH:35]1)(=[O:36])=[O:37]>>[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[n:6]1[cH:7][n:8][c:9]([CH3:23])[c:10]1[CH2:11][c:13]1[cH:14][c:15]2[c:16]([cH:21][cH:22]1)[O:17][CH2:18][CH2:19][O:20]2)[CH3:24]참가 물질
6
출처 및 근거
- ORD 기록
- ord-3a0785ce178b45f4a598373967cff5b4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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