Acetic Acid → 1-Tosyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one

HRID 91713

Reaction equation

HRID 91713 reaction equation
[C:28]([OH:29])(=[O:30])[CH3:31].[CH2:1]([O:2][C:3](=[O:4])[CH:6]1[C:7](=[O:27])[c:8]2[c:9]([cH:23][cH:24][cH:25][cH:26]2)[N:10]([S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[CH2:11][CH2:12]1)[CH3:5].[Na+:33].[OH-:32].[OH2:34]>>[CH2:6]1[C:7](=[O:27])[c:8]2[c:9]([cH:23][cH:24][cH:25][cH:26]2)[N:10]([S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[CH2:11][CH2:12]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 12435934Ethyl 5-oxo-1-tosyl-2,3,4,5-tetrahydro-1H-benzo[b]azepine-4-carboxylate

Product 1

HCID 2668521-Tosyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one

Sources & evidence

ORD record
ord-6102b9486dc74c11a38a408ba3702cbc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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