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Dichloromethane → {4-[4-(2-Ethyl-butyrylamino)-2-fluoro-phenyl]-piperazin-1-yl}-phenyl-acetic acid methyl ester

HRID 110668
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인쇄 미리보기

반응식

HRID 110668 반응식
[CH2:1]([CH3:2])[CH:3]([C:4](=[O:5])[OH:6])[CH2:7][CH3:8].[CH3:22][O:23][C:24]([CH:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[N:32]1[CH2:33][CH2:34][N:35]([c:38]2[c:39]([F:45])[cH:40][c:41]([NH2:44])[cH:42][cH:43]2)[CH2:36][CH2:37]1)=[O:46].[Cl:47][CH2:48][Cl:49].[NH:9]=[C:10]=[NH:11].[OH:12][n:13]1[c:14]2[c:15]([cH:16][cH:17][cH:18][cH:19]2)[n:20][n:21]1>>[CH2:1]([CH3:2])[CH:3]([C:4](=[O:6])[NH:44][c:41]1[cH:40][c:39]([F:45])[c:38]([N:35]2[CH2:34][CH2:33][N:32]([CH:25]([C:24]([O:23][CH3:22])=[O:46])[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:37][CH2:36]2)[cH:43][cH:42]1)[CH2:7][CH3:8]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 6344DichloromethaneHCID 69152-Ethylbutyric acidHCID 757711-HydroxybenzotriazoleHCID 160435CarbodiimideHCID 69304062[4-(4-Amino-2-fluoro-phenyl)-piperazin-1-yl]-phenyl-acetic acid methyl ester

생성물 1

HCID 16667331{4-[4-(2-Ethyl-butyrylamino)-2-fluoro-phenyl]-piperazin-1-yl}-phenyl-acetic acid methyl ester

출처 및 근거

ORD 기록
ord-638a3d93884b4a9585d6d94c221159a4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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