Acetic Acid → 4-(3-chloropyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine

HRID 2332751Notes

Reaction equation

HRID 2332751 reaction equation
[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH3:43][C:44](=[O:45])[OH:46].[Cl:11][c:12]1[n:13][cH:14][cH:15][cH:16][c:17]1[Cl:18].[H-:20].[Na+:19].[O:1]1[CH2:2][CH2:3][NH:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2.[O:21]1[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[CH:28]=[CH:29][NH:30]1.[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1>>[O:1]1[CH2:2][CH2:3][N:4]([c:12]2[n:13][cH:14][cH:15][cH:16][c:17]2[Cl:18])[c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 169882,3-DichloropyridineHCID 312751,4-DioxaneHCID 166653HydrideHCID 5850963,4-Dihydro-2H-1,4-benzoxazineHCID 17845026Benzoxazines

Product 1

HCID 576132544-(3-chloropyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine

Sources & evidence

ORD record
ord-c43d54757df444b2b21a87313bcbd5be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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