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Potassium Cation → 5-{3-[4-(4-Fluorobenzoyl)piperidinyl]propyl}-10,11-dihydro5H-dibenz[b,f]azepine

HRID 315581
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HRID 315581 반응식
[C:35](=[O:36])([O-:37])[O-:38].[C:43]([OH:44])(=[O:45])[C:46]([OH:47])=[O:48].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH:49]([OH:50])([CH3:51])[CH3:52].[Cl:1][CH2:2][CH2:3][CH2:4][N:5]1[c:6]2[c:7]([cH:16][cH:17][cH:18][cH:19]2)[CH2:8][CH2:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2.[F:20][c:21]1[cH:22][cH:23][c:24]([C:25](=[O:26])[CH:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[cH:33][cH:34]1.[K+:39].[K+:40].[OH2:41].[OH2:42]>>[CH2:2]([CH2:3][CH2:4][N:5]1[c:6]2[c:7]([cH:16][cH:17][cH:18][cH:19]2)[CH2:8][CH2:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2)[N:30]1[CH2:29][CH2:28][CH:27]([C:25]([c:24]2[cH:23][cH:22][c:21]([F:20])[cH:34][cH:33]2)=[O:26])[CH2:32][CH2:31]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 813Potassium Cation2회HCID 962Water2회HCID 971Oxalic AcidHCID 3776IsopropanolHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 2867795-(3-Chloropropyl)-10,11-dihydro-5H-dibenz[b,f]azepine
HCID 2724440
4-(4-Fluorobenzoyl)piperidine

생성물 1

HCID 215244585-{3-[4-(4-Fluorobenzoyl)piperidinyl]propyl}-10,11-dihydro5H-dibenz[b,f]azepine

출처 및 근거

ORD 기록
ord-ecaeb858760545c1a5f601a63eda1a2f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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