Bicarbonate Ion → HCID 178434264, compound

HRID 2122541Notes

Reaction equation

HRID 2122541 reaction equation
[Br:35][CH2:36][CH2:37][OH:38].[C:30](=[O:31])([OH:32])[O-:33].[CH3:1][c:2]1[n:3][nH:4][c:5]2[cH:6][cH:7][c:8](-[c:11]3[n:12][n:13][cH:14][c:15]([N:17]4[CH2:18][CH:19]([CH2:23][c:24]5[cH:25][cH:26][cH:27][cH:28][cH:29]5)[NH:20][CH2:21][CH2:22]4)[n:16]3)[cH:9][c:10]12.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH3:45][C:46]#[N:47].[Na+:34]>>[CH3:1][c:2]1[n:3][nH:4][c:5]2[cH:6][cH:7][c:8](-[c:11]3[n:12][n:13][cH:14][c:15]([N:17]4[CH2:18][CH:19]([CH2:23][c:24]5[cH:25][cH:26][cH:27][cH:28][cH:29]5)[N:20]([CH2:36][CH2:37][OH:38])[CH2:21][CH2:22]4)[n:16]3)[cH:9][c:10]12

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 108982-BromoethanolHCID 178434261HCID 178434261, compound

Product 1

HCID 178434264HCID 178434264, compound

Sources & evidence

ORD record
ord-64bf3a85641f49e4a9d480eb1ef58f1e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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