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Dimethylformamide → 6-(4-fluorophenyl)-7-methoxy-4-[[4-(piperidin-1-ylmethyl)anilino]methylidene]isoquinoline-1,3-dione

HRID 1574852
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HRID 1574852 반응식
[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[O:12][CH3:13])[C:8](=[O:14])[NH:7][C:6](=[O:15])[C:5]2=[CH:16][NH:17][c:18]1[cH:19][cH:20][c:21]([CH2:24][N:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)[cH:22][cH:23]1.[C:41]([P:42]([C:43]([CH3:44])([CH3:45])[CH3:46])[C:47]([CH3:48])([CH3:49])[CH3:50])([CH3:51])([CH3:52])[CH3:53].[C:54](=[O:55])([O-:56])[O-:57].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[Cs+:58].[Cs+:59].[OH:31][B:32]([OH:33])[c:34]1[cH:35][cH:36][c:37]([F:38])[cH:39][cH:40]1>>[c:2]1(-[c:34]2[cH:35][cH:36][c:37]([F:38])[cH:39][cH:40]2)[cH:3][c:4]2[c:9]([cH:10][c:11]1[O:12][CH3:13])[C:8](=[O:14])[NH:7][C:6](=[O:15])[C:5]2=[CH:16][NH:17][c:18]1[cH:19][cH:20][c:21]([CH2:24][N:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)[cH:22][cH:23]1
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7

반응물 6

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 104967Cesium cation2회HCID 2856454-Fluorophenylboronic acidHCID 178486407HCID 178486407, 화합물

생성물 1

HCID 178486411
6-(4-fluorophenyl)-7-methoxy-4-[[4-(piperidin-1-ylmethyl)anilino]methylidene]isoquinoline-1,3-dione

출처 및 근거

ORD 기록
ord-2bf3866cc3274e70ab3fa677da0ffcb0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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