Bicarbonate Ion → 2-(((3-methyl-4-((8-methyl-1,4,7,9-tetraoxaspiro[4.5]dec-8-yl)methoxy)pyridin-2-yl)methyl)thio)-1H-benzimidazole

HRID 122682Notes

Reaction equation

HRID 122682 reaction equation
[C:35](=[O:36])([O-:37])[OH:38].[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:1][c:2]1[c:3]([CH2:21][OH:22])[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]1([CH3:20])[O:11][CH2:12][C:13]2([O:14][CH2:15][CH2:16][O:17]2)[CH2:18][O:19]1.[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:30][S:31](=[O:32])(=[O:33])[Cl:34].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Na+:39].[Na+:51].[OH-:50].[SH:40][c:41]1[nH:42][c:43]2[c:44]([n:45]1)[cH:46][cH:47][cH:48][cH:49]2>>[CH3:1][c:2]1[c:3]([CH2:21][S:40][c:41]2[n:42][c:43]3[c:44]([nH:45]2)[cH:46][cH:47][cH:48][cH:49]3)[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]1([CH3:20])[O:11][CH2:12][C:13]2([O:14][CH2:15][CH2:16][O:17]2)[CH2:18][O:19]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 961HydroxideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 31297Methanesulfonyl chlorideHCID 59792595(3-Methyl-4-((8-methyl-1,4,7,9-tetraoxaspiro[4.5]dec-8-yl)methoxy)pyridin-2-yl)methanolHCID 178527775HCID 178527775, compound

Product 1

HCID 597925332-(((3-methyl-4-((8-methyl-1,4,7,9-tetraoxaspiro[4.5]dec-8-yl)methoxy)pyridin-2-yl)methyl)thio)-1H-benzimidazole

Sources & evidence

ORD record
ord-5f7617c5bc524610a490a02ef643e529
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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