Water → 5-(benzo[c][1,2,5]oxadiazol-5-yl)-2,2-dimethyl-4-(4-(quinolin-2-ylmethoxy)phenyl)furan-3(2H)-one

HRID 121067Notes

Reaction equation

HRID 121067 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH3:19][C:20]1([CH3:21])[C:22]([CH3:23])([CH3:24])[O:25][B:26]([c:27]2[cH:28][cH:29][c:30]([O:31][CH2:32][c:33]3[n:34][c:35]4[cH:36][cH:37][cH:38][cH:39][c:40]4[cH:41][cH:42]3)[cH:43][cH:44]2)[O:45]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Cs+:50].[Cs+:51].[OH2:59].[n:1]1[o:2][n:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1=[C:11]([Br:18])[C:12](=[O:17])[C:13]([CH3:15])([CH3:16])[O:14]1)[cH:9]2>>[n:1]1[o:2][n:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1=[C:11]([c:27]3[cH:28][cH:29][c:30]([O:31][CH2:32][c:33]4[n:34][c:35]5[cH:36][cH:37][cH:38][cH:39][c:40]5[cH:41][cH:42]4)[cH:43][cH:44]3)[C:12](=[O:17])[C:13]([CH3:15])([CH3:16])[O:14]1)[cH:9]2

Participants

7

Reactant 6

HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 583680032-((4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)methyl)quinolineHCID 593548375-(benzo[c][1,2,5]oxadiazol-5-yl)-4-bromo-2,2-dimethylfuran-3(2H)-one

Product 1

HCID 445946145-(benzo[c][1,2,5]oxadiazol-5-yl)-2,2-dimethyl-4-(4-(quinolin-2-ylmethoxy)phenyl)furan-3(2H)-one

Sources & evidence

ORD record
ord-d4596d6532fd4f57b1a503c3244ea9f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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