Dimethylformamide → 7-(2-furyl)-N-(4-((N-tetrahydropyran-4-yl-N-methylamino)methyl)-phenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

HRID 153174Notes

Reaction equation

HRID 153174 reaction equation
[CH3:20][N:21]([CH:22]1[CH2:23][CH2:24][O:25][CH2:26][CH2:27]1)[CH2:28][c:29]1[cH:30][cH:31][c:32]([NH2:33])[cH:34][cH:35]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[P:43]([C:44]#[N:45])([O:46][CH2:47][CH3:48])([O:49][CH2:50][CH3:51])=[O:52].[o:1]1[c:2](-[c:6]2[cH:7][cH:8][c:9]3[c:10]([cH:19]2)[CH:11]=[C:12]([C:16](=[O:17])[OH:18])[CH2:13][CH2:14][O:15]3)[cH:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:6]2[cH:7][cH:8][c:9]3[c:10]([cH:19]2)[CH:11]=[C:12]([C:16](=[O:18])[NH:33][c:32]2[cH:31][cH:30][c:29]([CH2:28][N:21]([CH3:20])[CH:22]4[CH2:23][CH2:24][O:25][CH2:26][CH2:27]4)[cH:35][cH:34]2)[CH2:13][CH2:14][O:15]3)[cH:3][cH:4][cH:5]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 76257Diethyl cyanophosphonateHCID 9877845(4-Amino-benzyl)-methyl-(tetrahydro-pyran-4-yl)-amineHCID 184725847-(2-Furyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid

Product 1

HCID 217157087-(2-furyl)-N-(4-((N-tetrahydropyran-4-yl-N-methylamino)methyl)-phenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

Sources & evidence

ORD record
ord-3405de2c21a6430bbeb37c056bf8c8ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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