Bicarbonate Ion → HCID 178468867, compound

HRID 177962Notes

Reaction equation

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

Participants

Reactant 6

HCID 769Bicarbonate Ion

HCID 923Sodium ion3×

HCID 1049Pyridine

HCID 1084Thiosulfate ion

HCID 6344Dichloromethane

HCID 178468868ethyl 3-[[1-(4-fluorophenyl)-5a-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-b]isoquinolin-6-yl]-hydroxymethyl]benzoate

Product 1

HCID 178468867HCID 178468867, compound

Sources & evidence

ORD record: ord-31c77fd690aa4efea460be2121553e82
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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