Toluene → 2-(2-Chloroethyl)-2,3-dihydro-4-methylpyrido[3,2-f][1,4]-thiazepine-5(4H)-thione
반응식
[CH3:17][O:18][c:19]1[cH:20][cH:21][c:22]([P:23]2(=[S:24])[S:25][P:27](=[S:28])([c:29]3[cH:30][cH:31][c:32]([O:33][CH3:34])[cH:35][cH:36]3)[S:26]2)[cH:37][cH:38]1.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Cl:1][CH2:2][CH2:3][CH:4]1[S:5][c:6]2[c:7]([cH:13][cH:14][cH:15][n:16]2)[C:8](=[O:12])[N:9]([CH3:11])[CH2:10]1>>[Cl:1][CH2:2][CH2:3][CH:4]1[S:5][c:6]2[c:7]([cH:13][cH:14][cH:15][n:16]2)[C:8](=[S:26])[N:9]([CH3:11])[CH2:10]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-3f102bb17a46426cb1cc66e7f297f6ec
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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