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Water → 2,2-dimethyl-5-(pyridin-4-yl)-4-(4-(quinolin-2-ylmethoxy)phenyl)furan-3(2H)-one

HRID 151271
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HRID 151271 반응식
[Br:1][C:2]1=[C:6]([c:7]2[cH:8][cH:9][n:10][cH:11][cH:12]2)[O:5][C:4]([CH3:13])([CH3:14])[C:3]1=[O:15].[C:43](=[O:44])([O-:45])[O-:46].[CH3:16][C:17]1([CH3:18])[C:19]([CH3:20])([CH3:21])[O:22][B:23]([c:24]2[cH:25][cH:26][c:27]([O:28][CH2:29][c:30]3[n:31][c:32]4[cH:33][cH:34][cH:35][cH:36][c:37]4[cH:38][cH:39]3)[cH:40][cH:41]2)[O:42]1.[Cs+:47].[Cs+:48].[OH2:49].[c:50]1([CH3:51])[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[C:2]1([c:24]2[cH:25][cH:26][c:27]([O:28][CH2:29][c:30]3[n:31][c:32]4[cH:33][cH:34][cH:35][cH:36][c:37]4[cH:38][cH:39]3)[cH:40][cH:41]2)=[C:6]([c:7]2[cH:8][cH:9][n:10][cH:11][cH:12]2)[O:5][C:4]([CH3:13])([CH3:14])[C:3]1=[O:15]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 583680032-((4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)methyl)quinolineHCID 593548244-bromo-2,2-dimethyl-5-(pyridin-4-yl)furan-3(2H)-one

생성물 1

HCID 44594036
2,2-dimethyl-5-(pyridin-4-yl)-4-(4-(quinolin-2-ylmethoxy)phenyl)furan-3(2H)-one

출처 및 근거

ORD 기록
ord-39b93f1b1fdd4cbcbc61f30bfedf5f33
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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