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Potassium Cation → N-Methyl-3-(4,4,5,5,5-pentafluoropentylsulfanyl)-N-[2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]ethyl]propan-1-amine

HRID 2157766
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HRID 2157766 반응식
[C:29](=[O:30])([O-:31])[O-:32].[CH3:1][NH:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([C:12]2=[C:13]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:14][CH2:15][CH2:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[cH:10][cH:11]1.[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[I:35][CH2:36][CH2:37][CH2:38][S:39][CH2:40][CH2:41][CH2:42][C:43]([C:44]([F:45])([F:46])[F:47])([F:48])[F:49].[K+:33].[K+:34].[OH2:50]>>[CH3:1][N:2]([CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([C:12]2=[C:13]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:14][CH2:15][CH2:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[cH:10][cH:11]1)[CH2:36][CH2:37][CH2:38][S:39][CH2:40][CH2:41][CH2:42][C:43]([C:44]([F:45])([F:46])[F:47])([F:48])[F:49]
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참가 물질

7

반응물 6

HCID 813Potassium Cation2회HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 21868881HCID 21868881, 화합물HCID 21868893HCID 21868893, 화합물

생성물 1

HCID 15435659
N-Methyl-3-(4,4,5,5,5-pentafluoropentylsulfanyl)-N-[2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]ethyl]propan-1-amine

출처 및 근거

ORD 기록
ord-e2d3e2d5f85c46e98b472e2a2ce48f06
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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