Bicarbonate Ion → HCID 12562530, compound

HRID 1212191Notes

Reaction equation

HRID 1212191 reaction equation
[Br:1][c:2]1[n:3][n:4][c:5]2[n:6]1-[c:7]1[c:8]([cH:18][c:19]([Br:22])[cH:20][cH:21]1)[C:9]([c:12]1[n:13][cH:14][cH:15][cH:16][cH:17]1)=[N:10][CH2:11]2.[C:31](=[O:32])([OH:33])[O-:34].[C:36]([O:37][CH2:38][CH3:39])(=[O:40])[CH3:41].[CH3:23][N:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[CH3:42][OH:43].[Na+:35].[OH2:30]>>[c:2]1([N:27]2[CH2:26][CH2:25][N:24]([CH3:23])[CH2:29][CH2:28]2)[n:3][n:4][c:5]2[n:6]1-[c:7]1[c:8]([cH:18][c:19]([Br:22])[cH:20][cH:21]1)[C:9]([c:12]1[n:13][cH:14][cH:15][cH:16][cH:17]1)=[N:10][CH2:11]2

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 531671-MethylpiperazineHCID 12562520HCID 12562520, compound

Product 1

HCID 12562530HCID 12562530, compound

Sources & evidence

ORD record
ord-24ba2267a4fd4164a568a30d418b7a46
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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