Water → N-[(3-chloro-1-benzofuran-2-yl)methyl]-3-(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methylprop-2-enamide

HRID 150493Notes

Reaction equation

HRID 150493 reaction equation
[CH3:14][C:15]1([CH3:31])[C:16](=[O:30])[NH:17][c:18]2[c:19]([cH:21][c:22]([CH:25]=[CH:26][C:27](=[O:28])[OH:29])[cH:23][n:24]2)[O:20]1.[CH3:51][N:52]([CH3:53])[CH2:54][CH2:55][CH2:56][N:57]=[C:58]=[N:59][CH2:60][CH3:61].[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[c:3]([CH2:11][NH:12][CH3:13])[o:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:67].[OH:32][n:33]1[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[Cl:1][c:2]1[c:3]([CH2:11][N:12]([CH3:13])[C:27]([CH:26]=[CH:25][c:22]2[cH:21][c:19]3[c:18]([n:24][cH:23]2)[NH:17][C:16](=[O:30])[C:15]([CH3:14])([CH3:31])[O:20]3)=[O:29])[o:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 59277587(3-Chloro-benzofuran-2-ylmethyl)methylamineHCID 669676363-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-acrylic acid

Product 1

HCID 66967530N-[(3-chloro-1-benzofuran-2-yl)methyl]-3-(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methylprop-2-enamide

Sources & evidence

ORD record
ord-cfd60f66d93b4c1b981a5593899441e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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