Bromide ion → 5-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic acid cyclopropylmethyl ester

HRID 1133576

Reaction equation

HRID 1133576 reaction equation
[Br-:35].[CH3:37][S:38]([CH3:39])=[O:40].[CH:30]1([CH2:33][OH:34])[CH2:31][CH2:32]1.[Cl:1][c:2]1[cH:3][c:4]([CH:8]([CH2:9][NH:10][CH:11]([CH2:12][c:13]2[cH:14][c:15]3[c:16]([cH:26][cH:27]2)[O:17][C:18]([C:20](=[O:21])[OH:22])([C:23](=[O:24])[OH:25])[O:19]3)[CH3:28])[OH:29])[cH:5][cH:6][cH:7]1.[K+:36]>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]([CH2:9][NH:10][CH:11]([CH2:12][c:13]2[cH:14][c:15]3[c:16]([cH:26][cH:27]2)[O:17][C:18]([C:20](=[O:21])[OH:22])([C:23]([O:24][CH2:33][CH:30]2[CH2:31][CH2:32]2)=[O:25])[O:19]3)[CH3:28])[OH:29])[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 259Bromide ionHCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 75644CyclopropanemethanolHCID 42813555-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic acid

Product 1

HCID 676295715-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic acid cyclopropylmethyl ester

Sources & evidence

ORD record
ord-3e54cfa4b7c9403cb2e4cc365ba165d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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