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Chloride → 1-[[1-(2-Chloro-ethyl)-1H-pyrrol-2-yl]-(4-fluoro-phenyl)-methyl]-piperidine

HRID 114633
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HRID 114633 반응식
[CH2:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1.[Cl-:9].[F:10][c:11]1[cH:12][cH:13][c:14]([CH:15]=[N+:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:22][cH:23]1.[F:24][c:25]1[cH:26][cH:27][c:28]([CH:29]=[O:30])[cH:31][cH:32]1.[n:1]1([CH2:6][CH2:7][Cl:8])[cH:2][cH:3][cH:4][cH:5]1>>[n:1]1([CH2:6][CH2:7][Cl:8])[c:2]([CH:15]([c:14]2[cH:13][cH:12][c:11]([F:10])[cH:23][cH:22]2)[N:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:3][cH:4][cH:5]1
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반응물 5

HCID 312ChlorideHCID 8082PiperidineHCID 680234-FluorobenzaldehydeHCID 126741701-(2-Chloroethyl)pyrroleHCID 179122621-[(4-Fluorophenyl)methylidene]piperidin-1-ium

생성물 1

HCID 99449541-[[1-(2-Chloro-ethyl)-1H-pyrrol-2-yl]-(4-fluoro-phenyl)-methyl]-piperidine

출처 및 근거

ORD 기록
ord-fa47dcf34739447ba2c4cec5868fc4ef
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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