Bicarbonate Ion → HCID 67351645, compound

HRID 1557385Notes

Reaction equation

HRID 1557385 reaction equation
[C:48](=[O:49])([OH:50])[O-:51].[CH2:27]([CH3:28])[O:29][C:30]([CH2:31][c:32]1[cH:33][cH:34][c:35]([B:38]2[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]2)[cH:36][cH:37]1)=[O:47].[CH3:53][O:54][CH2:55][CH2:56][O:57][CH3:58].[Cl:1][c:2]1[c:3]([CH:8]([CH3:9])[O:10][C:11]([NH:12][c:13]2[c:14]([CH3:25])[n:15][o:16][c:17]2-[c:18]2[cH:19][cH:20][c:21]([Br:24])[cH:22][cH:23]2)=[O:26])[cH:4][cH:5][cH:6][cH:7]1.[Na+:52].[OH2:59]>>[Cl:1][c:2]1[c:3]([CH:8]([CH3:9])[O:10][C:11]([NH:12][c:13]2[c:14]([CH3:25])[n:15][o:16][c:17]2-[c:18]2[cH:19][cH:20][c:21](-[c:35]3[cH:34][cH:33][c:32]([CH2:31][C:30]([O:29][CH2:27][CH3:28])=[O:47])[cH:37][cH:36]3)[cH:22][cH:23]2)=[O:26])[cH:4][cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 46737998Ethyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetateHCID 67350786[5-(4-Bromophenyl)-3-methylisoxazol-4-yl]carbamic acid 1-(2-chlorophenyl)ethyl ester

Product 1

HCID 67351645HCID 67351645, compound

Sources & evidence

ORD record
ord-b58638cffd9d45ee9f8c5bb6da5d727a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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