Bicarbonate Ion → HCID 22909121, compound

HRID 2326711Notes

Reaction equation

HRID 2326711 reaction equation
[C:37](=[O:38])([OH:39])[O-:40].[CH3:33][C:34]([Cl:35])=[O:36].[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]3[c:11]([c:20]2-[c:21]2[cH:22][cH:23][n:24][cH:25][cH:26]2)[NH:12][N:13]([CH2:16][CH:17]([CH3:18])[CH3:19])[CH2:14][CH2:15]3)[cH:6][cH:7]1.[Na+:41].[cH:27]1[cH:28][cH:29][n:30][cH:31][cH:32]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]3[c:11]([c:20]2-[c:21]2[cH:22][cH:23][n:24][cH:25][cH:26]2)[N:12]([C:34]([CH3:33])=[O:36])[N:13]([CH2:16][CH:17]([CH3:18])[CH3:19])[CH2:14][CH2:15]3)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1049PyridineHCID 6367Acetyl chlorideHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 136395922HCID 136395922, compound

Product 1

HCID 22909121HCID 22909121, compound

Sources & evidence

ORD record
ord-2cf1a1ee166241f588ca5761884710ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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