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Water → 7-(5-methylthiophen-2-yl)-4-(pyrimidin-2-ylmethyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one

HRID 113779
Notes
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Reaction equation

HRID 113779 reaction equation
[Br:29][c:30]1[s:31][c:32]([CH3:35])[cH:33][cH:34]1.[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Cs+:40].[Cs+:41].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:53].[n:1]1[c:2]([CH2:7][N:8]2[CH2:9][CH2:10][O:11][c:12]3[c:13]([cH:16][c:17]([B:20]4[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]4)[cH:18][cH:19]3)[C:14]2=[O:15])[n:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([CH2:7][N:8]2[CH2:9][CH2:10][O:11][c:12]3[c:13]([cH:16][c:17](-[c:30]4[s:31][c:32]([CH3:35])[cH:33][cH:34]4)[cH:18][cH:19]3)[C:14]2=[O:15])[n:3][cH:4][cH:5][cH:6]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 698312-Bromo-5-methylthiopheneHCID 104967Cesium cation2×
HCID 71183062
4-(pyrimidin-2-ylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one

Product 1

HCID 711832137-(5-methylthiophen-2-yl)-4-(pyrimidin-2-ylmethyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one

Sources & evidence

ORD record
ord-dc63e76a2c0143a3ad8199d67f8ace39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes