Bicarbonate Ion → HCID 57731440, compound

HRID 2326834Notes

Reaction equation

HRID 2326834 reaction equation
[Br:37][c:38]1[cH:39][cH:40][c:41]([NH:49][c:50]2[cH:51][n:52][cH:53][n:54][cH:55]2)[c:42]([C:43](=[O:44])[N:45]([CH3:46])[CH3:47])[cH:48]1.[C:59](=[O:60])([OH:61])[O-:62].[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][n:11]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]3)[c:12]3[n:13][cH:14][c:15]([B:18]4[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1.[CH3:56][C:57]#[N:58].[Na+:63].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1>>[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][n:11]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]3)[c:12]3[n:13][cH:14][c:15](-[c:38]4[cH:39][cH:40][c:41]([NH:49][c:50]5[cH:51][n:52][cH:53][n:54][cH:55]5)[c:42]([C:43](=[O:44])[N:45]([CH3:46])[CH3:47])[cH:48]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 160390673-(2-Methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridineHCID 57731560HCID 57731560, compound

Product 1

HCID 57731440HCID 57731440, compound

Sources & evidence

ORD record
ord-e2dbbea3bd6443ef8bf4dfcd668e9172
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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