Bicarbonate Ion → HCID 69212482, compound

HRID 95984Notes

Reaction equation

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

Participants

Reactant 6

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 6344Dichloromethane

HCID 8471Triethylamine

HCID 62406Trifluoromethanesulfonic acid

HCID 726289621-(1-Adamantyl)-2-[7-(hydroxyiminomethyl)-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene]ethanone

Product 1

HCID 69212482HCID 69212482, compound

Sources & evidence

ORD record: ord-ce3677a9ef99424588cdd8389e7d2e5a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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