Bicarbonate Ion → HCID 86619141, compound

HRID 662199Notes

Reaction equation

HRID 662199 reaction equation
[C:46](=[O:47])([O-:48])[OH:49].[CH3:41][S:42](=[O:43])(=[O:44])[Cl:45].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[CH:55]([Cl:56])([Cl:57])[Cl:58].[F:1][CH:2]([c:3]1[c:4]2[n:5]([cH:6][cH:7][cH:8]1)[c:9](-[c:12]1[n:13][c:14]([NH:20][CH:21]([CH3:22])[c:23]3[cH:24][c:25]([CH2:29][OH:30])[cH:26][cH:27][cH:28]3)[n:15][cH:16][c:17]1[C:18]#[N:19])[cH:10][n:11]2)[F:31].[N-:52]=[N+:53]=[N-:54].[Na+:50].[Na+:51]>>[F:1][CH:2]([c:3]1[c:4]2[n:5]([cH:6][cH:7][cH:8]1)[c:9](-[c:12]1[n:13][c:14]([NH:20][CH:21]([CH3:22])[c:23]3[cH:24][c:25]([CH2:29][N:52]=[N+:53]=[N-:54])[cH:26][cH:27][cH:28]3)[n:15][cH:16][c:17]1[C:18]#[N:19])[cH:10][n:11]2)[F:31]

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6212ChloroformHCID 6228DimethylformamideHCID 31297Methanesulfonyl chlorideHCID 33558AzideHCID 81531DiisopropylethylamineHCID 68687123HCID 68687123, compound

Product 1

HCID 86619141HCID 86619141, compound

Sources & evidence

ORD record
ord-aed42731e4ba4c16b13d34234df80d4c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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