Hydrochloric Acid → [3-Chloro-4-(6-chloro-5-isopropyl-pyridazin-3-yloxy)-5-methyl-phenyl]-acetic acid methyl ester
반응식
[C:26](=[O:27])([O-:28])[O-:29].[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([Cl:13])[c:8]([OH:12])[c:9]([CH3:11])[cH:10]1)=[O:14].[CH3:33][S:34](=[O:35])[CH3:36].[Cl:15][c:16]1[n:17][n:18][c:19]([Cl:25])[cH:20][c:21]1[CH:22]([CH3:23])[CH3:24].[ClH:32].[Cu:37][I:38].[K+:30].[K+:31]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([Cl:13])[c:8]([O:12][c:19]2[n:18][n:17][c:16]([Cl:15])[c:21]([CH:22]([CH3:23])[CH3:24])[cH:20]2)[c:9]([CH3:11])[cH:10]1)=[O:14]참가 물질
8
반응물 7
HCID 313Hydrochloric Acid
HCID 679Dimethyl Sulfoxide
HCID 813Potassium Cation2회
HCID 19660Carbonate Ion
HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
HCID 140241623,6-Dichloro-4-isopropylpyridazine
HCID 68444019(3-Chloro-4-hydroxy-5-methyl-phenyl)-acetic acid methyl ester생성물 1
출처 및 근거
- ORD 기록
- ord-e368d1b28ff642f1bfd59b122274b42b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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