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4-Methylmorpholine → 3-(4'-Chlorobiphenyl-4-yl)propynoic acid-[4-(4-methylpiperazin-1-ylmethyl)phenyl]amide

HRID 666029
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반응식

HRID 666029 반응식
[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:19][N:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1.[CH3:34][N:35]1[CH2:36][CH2:37][N:38]([CH2:41][c:42]2[cH:43][cH:44][c:45]([NH2:48])[cH:46][cH:47]2)[CH2:39][CH2:40]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]#[C:15][C:16](=[O:17])[OH:18])[cH:12][cH:13]2)[cH:6][cH:7]1.[Cl:26][C:27]([O:28][CH2:29][CH:30]([CH3:31])[CH3:32])=[O:33]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]#[C:15][C:16](=[O:18])[NH:48][c:45]3[cH:44][cH:43][c:42]([CH2:41][N:38]4[CH2:37][CH2:36][N:35]([CH3:34])[CH2:40][CH2:39]4)[cH:47][cH:46]3)[cH:12][cH:13]2)[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 62365Isobutyl chloroformateHCID 31539964-((4-Methylpiperazin-1-yl)methyl)anilineHCID 68816492(4'-Chlorobiphenyl-4-yl)propynoic acid

생성물 1

HCID 578457233-(4'-Chlorobiphenyl-4-yl)propynoic acid-[4-(4-methylpiperazin-1-ylmethyl)phenyl]amide

출처 및 근거

ORD 기록
ord-51ac882e78684c5c9cf2d4524ee112b8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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