Water → (3-ethoxy-4-methoxy-phenyl)-(4-methyl-3,4-dihydro-2H-benzo[1,4]oxazin-7-yl)-methanone

HRID 689834Notes

Reaction equation

HRID 689834 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:11][cH:12]1)[N:6]([CH3:10])[CH2:7][CH2:8][O:9]2.[CH2:19]([CH3:20])[O:21][c:22]1[cH:23][c:24]([C:25](=[O:26])[N:27]([O:28][CH3:29])[CH3:30])[cH:31][cH:32][c:33]1[O:34][CH3:35].[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18].[CH:36]([OH:37])([CH3:38])[CH3:39].[OH2:45]>>[c:2]1([C:25]([c:24]2[cH:23][c:22]([O:21][CH2:19][CH3:20])[c:33]([O:34][CH3:35])[cH:32][cH:31]2)=[O:26])[cH:3][c:4]2[c:5]([cH:11][cH:12]1)[N:6]([CH3:10])[CH2:7][CH2:8][O:9]2

Participants

7

Reactant 6

HCID 962WaterHCID 3776IsopropanolHCID 8028TetrahydrofuranHCID 8058HexaneHCID 27764057-Bromo-3,4-dihydro-4-methyl-2H-1,4-benzoxazineHCID 213110183-ethoxy-N,4-dimethoxy-N-methylbenzamide

Product 1

HCID 68938702(3-ethoxy-4-methoxy-phenyl)-(4-methyl-3,4-dihydro-2H-benzo[1,4]oxazin-7-yl)-methanone

Sources & evidence

ORD record
ord-8de8b6a4b79f4826afc54d2a98cae6a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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