Bicarbonate Ion → HCID 46198823, compound

HRID 2160323Notes

Reaction equation

HRID 2160323 reaction equation
[Cl:51][CH2:52][Cl:53].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[c:8]3[c:9]([n:10][c:11]([NH:13][c:14]4[cH:15][c:16]([O:26][CH3:27])[c:17](-[n:20]5[cH:21][n:22][c:23]([CH3:25])[cH:24]5)[cH:18][cH:19]4)[n:12]2)[CH2:28][CH2:29][S:30][CH2:31]3)[cH:32][cH:33]1.[Na+:49].[O-:45][C:46]([OH:47])=[O:48].[OH2:50].[OH:34][O:35][C:36]([c:37]1[cH:38][c:39]([Cl:40])[cH:41][cH:42][cH:43]1)=[O:44]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[c:8]3[c:9]([n:10][c:11]([NH:13][c:14]4[cH:15][c:16]([O:26][CH3:27])[c:17](-[n:20]5[cH:21][n:22][c:23]([CH3:25])[cH:24]5)[cH:18][cH:19]4)[n:12]2)[CH2:28][CH2:29][S:30](=[O:34])[CH2:31]3)[cH:32][cH:33]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 593338014-(4-Fluorobenzyl)-N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine

Product 1

HCID 46198823HCID 46198823, compound

Sources & evidence

ORD record
ord-b94fac6a45094f17af8d959730658c0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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