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Acetate → 2,5-Dichloro-3-(4-chlorophenylsulfonylmethyl)pyridine

HRID 206593
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HRID 206593 반응식
[CH2:2]([Al+:3][CH2:4][CH:5]([CH3:6])[CH3:7])[CH:8]([CH3:9])[CH3:10].[CH2:47]([Cl:48])[Cl:49].[CH3:39][C:40](=[O:41])[O-:42].[CH3:50][CH2:51][CH2:52][CH2:53][CH2:54][CH3:55].[CH:43]([Cl:44])([Cl:45])[Cl:46].[Cl:11][c:12]1[c:13]([C:14]([O:15][CH3:16])=[O:17])[cH:18][c:19]([Cl:22])[cH:20][n:21]1.[Cl:27][c:28]1[cH:29][cH:30][c:31]([S:34](=[O:35])[O-:36])[cH:32][cH:33]1.[H-:1].[K+:38].[Na+:37].[S:23]([Cl:24])([Cl:25])=[O:26]>>[Cl:11][c:12]1[c:13]([CH2:14][S:34]([c:31]2[cH:30][cH:29][c:28]([Cl:27])[cH:33][cH:32]2)(=[O:35])=[O:36])[cH:18][c:19]([Cl:22])[cH:20][n:21]1
참가 물질출처 및 근거반응 노트

참가 물질

12

반응물 11

HCID 175AcetateHCID 813Potassium CationHCID 923Sodium IonHCID 6212ChloroformHCID 6344DichloromethaneHCID 8058HexaneHCID 24386Thionyl ChlorideHCID 166653Hydride
HCID 277294
4-Chlorobenzenesulfinate
HCID 2764318Methyl 2,5-Dichloronicotinate
HCID 16686348Bis(2-methylpropyl)alumanylium

생성물 1

HCID 230286422,5-Dichloro-3-(4-chlorophenylsulfonylmethyl)pyridine

출처 및 근거

ORD 기록
ord-89e05d37328b4c19adf9dd1af245a517
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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