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Potassium Cation → 4-Chloro-5-[3-(2-n-propyl-4-cyanophenoxy)-2-hydroxypropoxy]-2-i-propyl-3(2H)pyridazinone

HRID 669296
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반응식

HRID 669296 반응식
[C:29](=[O:30])([O-:31])[O-:32].[CH2:17]([CH2:18][CH3:19])[c:20]1[c:21]([OH:28])[cH:22][cH:23][c:24]([C:26]#[N:27])[cH:25]1.[CH2:35]([C:36]([CH2:37][CH3:38])=[O:39])[CH3:40].[Cl:1][c:2]1[c:3](=[O:16])[n:4]([CH:13]([CH3:14])[CH3:15])[n:5][cH:6][c:7]1[O:8][CH2:9][CH:10]1[O:11][CH2:12]1.[K+:33].[K+:34]>>[Cl:1][c:2]1[c:3](=[O:16])[n:4]([CH:13]([CH3:14])[CH3:15])[n:5][cH:6][c:7]1[O:8][CH2:9][CH:10]([OH:11])[CH2:12][O:28][c:21]1[c:20]([CH2:17][CH2:18][CH3:19])[cH:25][c:24]([C:26]#[N:27])[cH:23][cH:22]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 813Potassium Cation2회HCID 7288Ethyl ketoneHCID 19660Carbonate IonHCID 139876694-hydroxy-3-propylBenzonitrileHCID 139878384-chloro-5-(2-oxiranylmethoxy)-2-i-propyl-3(2H)pyridazinone

생성물 1

HCID 139877974-Chloro-5-[3-(2-n-propyl-4-cyanophenoxy)-2-hydroxypropoxy]-2-i-propyl-3(2H)pyridazinone

출처 및 근거

ORD 기록
ord-a2a07a22c4a94a14a09beeb0e03d75b2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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