Toluene → [2-(8-methoxy-4H-benzo[1,3]dioxin-6-yl)-2-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylimino]-1-methylsulfanylethylidene]carbamic acid methyl ester
반응식
[CH3:1][S:2][C:3]([C:4](=[N:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][o:14][c:15]([CH3:17])[n:16]2)[cH:10][cH:11]1)[c:18]1[cH:19][c:20]([O:28][CH3:29])[c:21]2[c:22]([cH:27]1)[CH2:23][O:24][CH2:25][O:26]2)=[NH:30].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Cl:40][C:41](=[O:42])[O:43][CH3:44].[n:31]1[c:32]([CH3:33])[cH:34][c:35]([CH3:36])[cH:37][c:38]1[CH3:39]>>[CH3:1][S:2][C:3]([C:4](=[N:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][o:14][c:15]([CH3:17])[n:16]2)[cH:10][cH:11]1)[c:18]1[cH:19][c:20]([O:28][CH3:29])[c:21]2[c:22]([cH:27]1)[CH2:23][O:24][CH2:25][O:26]2)=[N:30][C:41](=[O:42])[O:43][CH3:44]참가 물질
5
반응물 4
생성물 1
출처 및 근거
- ORD 기록
- ord-dadc47686e794413a5921d67cf30884e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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