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Hydrochloric Acid → 1-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)piperidin-2-one

HRID 88008
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HRID 88008 반응식
[CH2:46]([N:47]=[C:48]=[N:49][CH2:50][CH2:51][CH2:52][N:53]([CH3:54])[CH3:55])[CH3:56].[CH3:60][N:61]([CH3:62])[c:63]1[cH:64][cH:65][n:66][cH:67][cH:68]1.[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[N:14]1[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]1.[Cl:57][CH2:58][Cl:59].[ClH:45].[F:20][c:21]1[cH:22][cH:23][c:24]([C:27]2([c:38]3[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]3)[C:28](=[O:37])[N:29]([CH2:33][C:34](=[O:35])[OH:36])[CH2:30][CH2:31][CH2:32]2)[cH:25][cH:26]1>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[N:14]1[CH2:15][CH2:16][N:17]([C:34]([CH2:33][N:29]2[C:28](=[O:37])[C:27]([c:24]3[cH:23][cH:22][c:21]([F:20])[cH:26][cH:25]3)([c:38]3[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]3)[CH2:32][CH2:31][CH2:30]2)=[O:35])[CH2:18][CH2:19]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 70048BenzhydrylpiperazineHCID 673591112-(3,3-Bis(4-fluorophenyl)-2-oxopiperidin-1-yl)acetic acid

생성물 1

HCID 45275391
1-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)piperidin-2-one

출처 및 근거

ORD 기록
ord-8b30b96cdec443c3810b121fa8378bbc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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