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Water → 1-[(3-Methyl-2-pyridinyl)carbonyl]-4-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine

HRID 293363
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HRID 293363 반응식
[CH3:55][c:56]1[c:57]([C:62](=[O:63])[OH:64])[n:58][cH:59][cH:60][cH:61]1.[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[Cl:79][CH2:80][Cl:81].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[cH:7][cH:8]1)([F:18])[F:19].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[OH2:30].[OH:20][n:21]1[c:22]2[c:23]([cH:24][cH:25][cH:26][cH:27]2)[n:28][n:29]1.[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH2:14][N:15]([C:62]([c:57]3[c:56]([CH3:55])[cH:61][cH:60][cH:59][n:58]3)=[O:63])[CH2:16][CH2:17]2)[cH:7][cH:8]1)([F:18])[F:19]
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluronium
HCID 268757
3-Methylpicolinic acid
HCID 25545781-[4-(Trifluoromethyl)benzenesulfonyl]piperazine

생성물 1

HCID 446119611-[(3-Methyl-2-pyridinyl)carbonyl]-4-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine

출처 및 근거

ORD 기록
ord-0f8bca2e116443eebe37298065a6a786
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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