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Chloride → [2-(2-Dimethylamino-ethyl)-benzo[b]thiophen-3-yl]-(4-fluoro-phenyl)-methanone

HRID 1127349
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HRID 1127349 반응식
[Al+3:26].[Cl-:25].[Cl-:27].[Cl-:28].[Cl:29][CH:30]([Cl:31])[CH3:32].[F:15][c:16]1[cH:17][cH:18][c:19]([C:20](=[O:21])[Cl:22])[cH:23][cH:24]1.[s:1]1[c:2]2[c:3]([cH:4][c:5]1[CH2:6][CH2:7][N:8]([CH3:9])[CH3:10])[cH:11][cH:12][cH:13][cH:14]2>>[s:1]1[c:2]2[c:3]([c:4]([C:20]([c:19]3[cH:18][cH:17][c:16]([F:15])[cH:24][cH:23]3)=[O:21])[c:5]1[CH2:6][CH2:7][N:8]([CH3:9])[CH3:10])[cH:11][cH:12][cH:13][cH:14]2
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6

반응물 5

HCID 312Chloride3회HCID 63651,1-DichloroethaneHCID 678794-Fluorobenzoyl chlorideHCID 104727Aluminum CationHCID 58591561(2-Benzo[b]thiophen-2-yl-ethyl)-dimethylamine

생성물 1

HCID 11674280[2-(2-Dimethylamino-ethyl)-benzo[b]thiophen-3-yl]-(4-fluoro-phenyl)-methanone

출처 및 근거

ORD 기록
ord-c994cf8cc8fb4ce3b408cae0eea42745
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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