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Sodium Ion → 6-[3-(4-(4-fluorobenzoyl)-1-piperidyl)propyl]-6H-dibenzo[c,e]-1,2-thiazine 5,5-dioxide

HRID 698242
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반응식

HRID 698242 반응식
[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Cl:19][CH2:20][CH2:21][CH2:22][N:23]1[CH2:24][CH2:25][CH:26]([C:29]([c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)=[O:37])[CH2:27][CH2:28]1.[H-:17].[Na+:18].[OH2:38].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:6]1-[c:7]1[c:8]([cH:13][cH:14][cH:15][cH:16]1)[NH:9][S:10]2(=[O:11])=[O:12]>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:6]1-[c:7]1[c:8]([cH:13][cH:14][cH:15][cH:16]1)[N:9]([CH2:20][CH2:21][CH2:22][N:23]1[CH2:24][CH2:25][CH:26]([C:29]([c:30]3[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]3)=[O:37])[CH2:27][CH2:28]1)[S:10]2(=[O:11])=[O:12]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 7080916~{h}-Benzo[c][1,2]benzothiazine 5,5-DioxideHCID 12404419[1-(3-Chloropropyl)piperidin-4-yl](4-fluorophenyl)methanone

생성물 1

HCID 198884636-[3-(4-(4-fluorobenzoyl)-1-piperidyl)propyl]-6H-dibenzo[c,e]-1,2-thiazine 5,5-dioxide

출처 및 근거

ORD 기록
ord-9bc9fcf65645442590c66437c491810d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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