1,2-Dichloroethane → 5-[4-(Dipropylsulfamoyl)-benzoyl]-6-methyl-1,3-benzodioxole-2-carboxylic acid ethyl ester
반응식
[Al+3:2].[CH2:20]([CH2:21][CH3:22])[N:23]([S:24](=[O:25])(=[O:26])[c:27]1[cH:28][cH:29][c:30]([C:31](=[O:32])[Cl:33])[cH:34][cH:35]1)[CH2:36][CH2:37][CH3:38].[CH2:5]([CH3:6])[O:7][C:8](=[O:9])[CH:10]1[O:11][c:12]2[c:13]([cH:15][cH:16][c:17]([CH3:19])[cH:18]2)[O:14]1.[Cl-:1].[Cl-:3].[Cl-:4].[Cl:39][CH2:40][CH2:41][Cl:42]>>[CH2:5]([CH3:6])[O:7][C:8](=[O:9])[CH:10]1[O:11][c:12]2[c:13]([cH:15][c:16]([C:31]([c:30]3[cH:29][cH:28][c:27]([S:24]([N:23]([CH2:20][CH2:21][CH3:22])[CH2:36][CH2:37][CH3:38])(=[O:25])=[O:26])[cH:35][cH:34]3)=[O:32])[c:17]([CH3:19])[cH:18]2)[O:14]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-a567b8eec89444e493cd84093ac14581
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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