Sodium ion → 3-Cyclobutyl-7-[(5-nitro-1,3-thiazol-2-yl)oxy]-2,3,4,5-tetrahydro-1H-3-benzazepine

HRID 191707

Reaction equation

HRID 191707 reaction equation
[Br:19][c:20]1[s:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][n:24]1.[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[CH:3]1([N:7]2[CH2:8][CH2:9][c:10]3[c:11]([cH:14][c:15]([OH:18])[cH:16][cH:17]3)[CH2:12][CH2:13]2)[CH2:4][CH2:5][CH2:6]1.[H-:1].[Na+:2]>>[CH:3]1([N:7]2[CH2:8][CH2:9][c:10]3[c:11]([cH:14][c:15]([O:18][c:20]4[s:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][n:24]4)[cH:16][cH:17]3)[CH2:12][CH2:13]2)[CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 182112-Bromo-5-nitrothiazoleHCID 166653HydrideHCID 100820813-Cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[D]azepin-7-OL

Product 1

HCID 103376233-Cyclobutyl-7-[(5-nitro-1,3-thiazol-2-yl)oxy]-2,3,4,5-tetrahydro-1H-3-benzazepine

Sources & evidence

ORD record
ord-23895cda3c27492eacea7b891a6cbe8e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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