Bicarbonate Ion → HCID 25016338, compound

HRID 291534Notes

Reaction equation

HRID 291534 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Cl:1][c:2]1[cH:3][cH:4][c:5](=[O:23])[n:6]([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][n:14][c:15]3[cH:16][c:17]([O:21][CH3:22])[cH:18][cH:19][c:20]23)[n:7]1.[Na+:36].[Na+:37].[Na+:48].[O-:44][C:45]([OH:46])=[O:47].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[s:24]1[cH:25][c:26]([B:29]([OH:30])[OH:31])[cH:27][cH:28]1>>[c:2]1(-[c:26]2[cH:25][s:24][cH:28][cH:27]2)[cH:3][cH:4][c:5](=[O:23])[n:6]([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][n:14][c:15]3[cH:16][c:17]([O:21][CH3:22])[cH:18][cH:19][c:20]23)[n:7]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 581760Thiophene-3-boronic acidHCID 598430126-chloro-2-(2-(7-methoxyquinolin-4-yloxy)ethyl)pyridazin-3(2H)-one

Product 1

HCID 25016338HCID 25016338, compound

Sources & evidence

ORD record
ord-604edd9427ae49d3af2d1fdfd59be517
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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