Sodium ion → HCID 18471199, compound

HRID 1556920Notes

Reaction equation

HRID 1556920 reaction equation
[Br:9][c:10]1[cH:11][c:12]([CH:13]=[O:14])[c:15]([F:18])[cH:16][cH:17]1.[CH3:26][O:27][CH2:28][CH2:29][O:30][CH3:31].[Na+:19].[Na+:20].[O-:21][C:22](=[O:23])[O-:24].[OH2:25].[cH:32]1[cH:33][cH:34][c:35]([P:36]([Pd:37]([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108]1.[s:1]1[cH:2][c:3]([B:6]([OH:7])[OH:8])[cH:4][cH:5]1>>[s:1]1[cH:2][c:3](-[c:10]2[cH:11][c:12]([CH:13]=[O:14])[c:15]([F:18])[cH:16][cH:17]2)[cH:4][cH:5]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 581760Thiophene-3-boronic acidHCID 7363275-Bromo-2-fluorobenzaldehydeHCID 178420554HCID 178420554, compound

Product 1

HCID 18471199HCID 18471199, compound

Sources & evidence

ORD record
ord-e30045ae50a646e5b225c6f6cfdcd426
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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