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Water → 4-(3-(4-(Benzyloxy)phenyl)-5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)benzonitrile

HRID 1141372
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HRID 1141372 반응식
[Br:1][C:2]1=[C:3]([c:10]2[cH:11][cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17]2)[O:4][C:5]([CH3:8])([CH3:9])[C:6]1=[O:7].[C:41](=[O:42])([O-:43])[O-:44].[CH2:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[O:25][c:26]1[cH:27][cH:28][c:29]([B:32]2[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]2)[cH:30][cH:31]1.[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[Cs+:45].[Cs+:46].[OH2:54]>>[C:2]1([c:29]2[cH:28][cH:27][c:26]([O:25][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:31][cH:30]2)=[C:3]([c:10]2[cH:11][cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17]2)[O:4][C:5]([CH3:8])([CH3:9])[C:6]1=[O:7]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 50574274,4,5,5-Tetramethyl-2-(4-(phenylmethoxy)phenyl)-1,3,2-dioxaborolaneHCID 66643774HCID 66643774, 화합물

생성물 1

HCID 66643923
4-(3-(4-(Benzyloxy)phenyl)-5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)benzonitrile

출처 및 근거

ORD 기록
ord-5e4485bceb3e44d5b19b85c75b52ae1f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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