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Chloride → 1-(1-Methylpiperidin-4-yl)-4-((1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)methylsulfonyl)piperazine

HRID 296421
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HRID 296421 반응식
[CH2:46]([Cl:47])[Cl:48].[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[CH2:6][CH2:7]1.[Cl-:21].[F:22][C:23]([c:24]1[cH:25][c:26]([S:30](=[O:31])(=[O:32])[N:33]2[CH:34]([CH2:39][S:40](=[O:41])(=[O:42])[OH:43])[CH2:35][CH2:36][CH2:37][CH2:38]2)[cH:27][cH:28][cH:29]1)([F:44])[F:45]>>[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([N:8]2[CH2:9][CH2:10][N:11]([S:40]([CH2:39][CH:34]3[N:33]([S:30]([c:26]4[cH:25][c:24]([C:23]([F:22])([F:44])[F:45])[cH:29][cH:28][cH:27]4)(=[O:31])=[O:32])[CH2:38][CH2:37][CH2:36][CH2:35]3)(=[O:41])=[O:42])[CH2:12][CH2:13]2)[CH2:6][CH2:7]1
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참가 물질

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반응물 5

HCID 312ChlorideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 5663241-(1-Methyl-4-piperidinyl)piperazineHCID 59367735(1-(3-(Trifluoromethyl)phenylsulfonyl)piperidin-2-yl)methanesulfonic acid

생성물 1

HCID 462049761-(1-Methylpiperidin-4-yl)-4-((1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)methylsulfonyl)piperazine

출처 및 근거

ORD 기록
ord-742b3f247f4447a69f84b7d0e6799afe
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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