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Toluene → 1-[5-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoyl]-3-isopropyl-2,1,3-benzothiadiazin-4-one-2,2-dioxide

HRID 96303
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HRID 96303 반응식
[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH:1]([CH3:2])([CH3:3])[N:4]1[S:5](=[O:15])(=[O:16])[NH:6][c:7]2[c:8]([cH:11][cH:12][cH:13][cH:14]2)[C:9]1=[O:10].[CH:48]([Cl:49])([Cl:50])[Cl:51].[Cl:17][c:18]1[c:19]([O:20][c:21]2[cH:22][cH:23][c:24]([N+:30](=[O:31])[O-:32])[c:25]([C:26](=[O:27])[Cl:28])[cH:29]2)[cH:33][cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[S:5](=[O:15])(=[O:16])[N:6]([C:26]([c:25]2[c:24]([N+:30](=[O:31])[O-:32])[cH:23][cH:22][c:21]([O:20][c:19]3[c:18]([Cl:17])[cH:36][c:35]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:33]3)[cH:29]2)=[O:27])[c:7]2[c:8]([cH:11][cH:12][cH:13][cH:14]2)[C:9]1=[O:10]
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반응물 4

HCID 1140TolueneHCID 2328BentazonHCID 6212ChloroformHCID 30177655-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoyl chloride

생성물 1

HCID 130379681-[5-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoyl]-3-isopropyl-2,1,3-benzothiadiazin-4-one-2,2-dioxide

출처 및 근거

ORD 기록
ord-644bbe82a5884b828cab5b1b24809754
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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