Butenedioate → 2-Butenedioic acid

HRID 1217722Notes

Reaction equation

HRID 1217722 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:8][CH:9]2[CH:10]3[CH2:11][N:12]4[CH2:13][CH:14]([CH2:15][CH:16]2[CH2:17]4)[CH2:18]3)[cH:5][n:6][cH:7]1.[C:29]([CH:30]=[CH:31][C:32](=[O:33])[O-:34])(=[O:35])[O-:36].[c:19]1([CH3:28])[cH:20][c:21]([B:25]([OH:26])[OH:27])[cH:22][cH:23][cH:24]1>>[C:29]([CH:30]=[CH:31][C:32](=[O:33])[OH:34])(=[O:35])[OH:36].[c:2]1(-[c:21]2[cH:20][c:19]([CH3:28])[cH:24][cH:23][cH:22]2)[cH:3][c:4]([NH:8][CH:9]2[CH:10]3[CH2:11][N:12]4[CH2:13][CH:14]([CH2:15][CH:16]2[CH2:17]4)[CH2:18]3)[cH:5][n:6][cH:7]1

Participants

5

Reactant 3

HCID 164547ButenedioateHCID 27339503-Tolylboronic acidHCID 24987501(4s)-4-N-(5-Bromopyridin-3-yl)-1-azatricyclo[3.3.1.13,7]decan-4-amine

Product 2

HCID 7232-Butenedioic acidHCID 68804190N-[5-(3-methylphenyl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine

Sources & evidence

ORD record
ord-3e50e5265eff45b9b8b9f1680f803bd9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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