Bicarbonate Ion → N-(4-Chlorobenzyl)-3-(hydroxymethyl)-2-{[(2-hydroxy-2-quinolin-2-ylethyl)(methyl)amino]methyl}-4-methyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

HRID 98041Notes

Reaction equation

HRID 98041 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11](=[O:44])[c:12]3[c:13]([n:14]([CH3:16])[cH:15]2)[c:17]([CH2:36][O:37][CH2:38][CH2:39][Si:40]([CH3:41])([CH3:42])[CH3:43])[c:18]([CH2:20][N:21]([CH3:22])[CH2:23][CH:24]([c:25]2[n:26][c:27]4[cH:28][cH:29][cH:30][cH:31][c:32]4[cH:33][cH:34]2)[OH:35])[s:19]3)[cH:45][cH:46]1.[Cl:59][CH2:60][Cl:61].[Cl:62][CH:63]([Cl:64])[Cl:65].[F:52][C:53]([F:54])([F:55])[C:56]([OH:57])=[O:58].[Na+:51].[O-:47][C:48]([OH:49])=[O:50]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11](=[O:44])[c:12]3[c:13]([n:14]([CH3:16])[cH:15]2)[c:17]([CH2:36][OH:37])[c:18]([CH2:20][N:21]([CH3:22])[CH2:23][CH:24]([c:25]2[n:26][c:27]4[cH:28][cH:29][cH:30][cH:31][c:32]4[cH:33][cH:34]2)[OH:35])[s:19]3)[cH:45][cH:46]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6212ChloroformHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 22574370HCID 22574370, compound

Product 1

HCID 22574421N-(4-Chlorobenzyl)-3-(hydroxymethyl)-2-{[(2-hydroxy-2-quinolin-2-ylethyl)(methyl)amino]methyl}-4-methyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

Sources & evidence

ORD record
ord-5bdc717b76164cbb8b270cd01ff321db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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