Butenedioate → 2-Butenedioic acid

HRID 160783Notes

Reaction equation

HRID 160783 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:31]([CH:32]=[CH:33][C:34](=[O:35])[O-:36])(=[O:37])[O-:38].[nH:19]1[cH:20][cH:21][c:22]2[c:23]([B:28]([OH:29])[OH:30])[cH:24][cH:25][cH:26][c:27]12>>[C:31]([CH:32]=[CH:33][C:34](=[O:35])[OH:36])(=[O:37])[OH:38].[c:2]1(-[c:23]2[c:22]3[cH:21][cH:20][nH:19][c:27]3[cH:26][cH:25][cH:24]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 27631731H-Indole-4-boronic 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 24987871N-[5-(1H-indol-4-yl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine

Sources & evidence

ORD record
ord-fb45b2b8b17a482eb7c2339695a25ef7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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