1,3-Benzodioxole-5-carboxylic acid → Benzo[1,3]dioxole-5-carboxylic acid {2-methyl-4-[3-(2-methyl-pyrrolidin-1-ylmethyl)-pyrrolidin-1-yl]-phenyl}-amide

HRID 99939

Reaction equation

HRID 99939 reaction equation
[CH3:1][c:2]1[c:3]([NH2:20])[cH:4][cH:5][c:6]([N:8]2[CH2:9][CH:10]([CH2:13][N:14]3[CH:15]([CH3:19])[CH2:16][CH2:17][CH2:18]3)[CH2:11][CH2:12]2)[cH:7]1.[O:21]1[CH2:22][O:23][c:24]2[c:25]1[cH:26][cH:27][c:28]([C:30](=[O:31])[OH:32])[cH:29]2>>[CH3:1][c:2]1[c:3]([NH:20][C:30]([c:28]2[cH:27][cH:26][c:25]3[c:24]([cH:29]2)[O:23][CH2:22][O:21]3)=[O:31])[cH:4][cH:5][c:6]([N:8]2[CH2:9][CH:10]([CH2:13][N:14]3[CH:15]([CH3:19])[CH2:16][CH2:17][CH2:18]3)[CH2:11][CH2:12]2)[cH:7]1

Participants

3

Reactant 2

HCID 71961,3-Benzodioxole-5-carboxylic acidHCID 684676422-Methyl-4-[3-(2-methyl-pyrrolidin-1-ylmethyl)-pyrrolidin-1-yl]-phenylamine

Product 1

HCID 25263720Benzo[1,3]dioxole-5-carboxylic acid {2-methyl-4-[3-(2-methyl-pyrrolidin-1-ylmethyl)-pyrrolidin-1-yl]-phenyl}-amide

Sources & evidence

ORD record
ord-58935368d38342e5a5f9c4cad0cb8b6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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