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Acetonitrile → 4-(3-(5-cyclopropylpyridin-2-yloxy)benzylidene)-N-(pyridazin-3-yl)piperidine-1-carboxamide

HRID 1212924
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HRID 1212924 반응식
[CH3:56][C:57]#[N:58].[CH:47]([N:48]([CH:49]([CH3:50])[CH3:51])[CH2:52][CH3:53])([CH3:54])[CH3:55].[CH:8]1([c:11]2[cH:12][cH:13][c:14]([O:17][c:18]3[cH:19][c:20]([CH:24]=[C:25]4[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]4)[cH:21][cH:22][cH:23]3)[n:15][cH:16]2)[CH2:9][CH2:10]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[n:31]1[n:32][c:33]([NH:37][C:38]([O:39][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)=[O:40])[cH:34][cH:35][cH:36]1>>[CH:8]1([c:11]2[cH:12][cH:13][c:14]([O:17][c:18]3[cH:19][c:20]([CH:24]=[C:25]4[CH2:26][CH2:27][N:28]([C:38]([NH:37][c:33]5[n:32][n:31][cH:36][cH:35][cH:34]5)=[O:39])[CH2:29][CH2:30]4)[cH:21][cH:22][cH:23]3)[n:15][cH:16]2)[CH2:9][CH2:10]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 20150036Phenyl pyridazin-3-ylcarbamateHCID 668761245-Cyclopropyl-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine

생성물 1

HCID 533165504-(3-(5-cyclopropylpyridin-2-yloxy)benzylidene)-N-(pyridazin-3-yl)piperidine-1-carboxamide

출처 및 근거

ORD 기록
ord-f3367efb40b44dff84d075ed4f36c3b1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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