Hydrogen Bromide → Isoindoline

HRID 120577Notes

Reaction equation

HRID 120577 reaction equation
[BrH:27].[CH3:28][CH2:29][C:30](=[O:31])[OH:32].[CH3:36][CH2:37][O:38][CH2:39][CH3:40].[Na+:34].[OH-:33].[OH2:35].[OH:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6](=[O:7])(=[O:8])[N:10]2[CH2:11][c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[CH2:18]2)[cH:9][cH:19]1>>[NH:10]1[CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2[CH2:18]1

Participants

9

Reactant 8

HCID 260Hydrogen BromideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 996PhenolHCID 1032Propionic AcidHCID 3283Diethyl EtherHCID 2598992-Tosylisoindoline

Product 1

HCID 422478Isoindoline

Sources & evidence

ORD record
ord-d9aa5a8855f14eceb6a83a646149d387
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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