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Potassium Cation → Benzenemethanol, 4-chloro-alpha-ethyl-alpha-(4-((6-methyl-2-pyridinyl)methoxy)phenyl)-

HRID 86178
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HRID 86178 반응식
[C:19](=[O:20])([O-:21])[O-:22].[CH2:1]([CH3:2])[C:3]([c:4]1[cH:5][cH:6][c:7]([OH:10])[cH:8][cH:9]1)([c:11]1[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[OH:18].[CH2:39]([N+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH3:25][c:26]1[n:27][c:28]([CH2:32][Cl:33])[cH:29][cH:30][cH:31]1.[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[K+:23].[K+:24].[S:34]([O-:35])([OH:36])(=[O:37])=[O:38]>>[CH2:1]([CH3:2])[C:3]([c:4]1[cH:5][cH:6][c:7]([O:10][CH2:32][c:28]2[n:27][c:26]([CH3:25])[cH:31][cH:30][cH:29]2)[cH:8][cH:9]1)([c:11]1[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[OH:18]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 61778Sulfate, hydrogenHCID 765462-(Chloromethyl)-6-methylpyridineHCID 14727318alpha-Ethyl-alpha-(4-chlorophenyl)-4-hydroxy-benzylalcohol

생성물 1

HCID 3022025Benzenemethanol, 4-chloro-alpha-ethyl-alpha-(4-((6-methyl-2-pyridinyl)methoxy)phenyl)-

출처 및 근거

ORD 기록
ord-972f6bccd2784fafb37f87b15df2694b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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