Sodium ion → 2-Chloro-4-(thiophen-3-yl)pyrimidine

HRID 2159504Notes

Reaction equation

HRID 2159504 reaction equation
[C:17](=[O:18])([O-:19])[O-:20].[CH3:23][C:24]#[N:25].[Cl:9][c:10]1[n:11][cH:12][cH:13][c:14]([Cl:16])[n:15]1.[Na+:21].[Na+:22].[cH:26]1[cH:27][cH:28][c:29]([P:30]([Pd:31]([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)([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)([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([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)[P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([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)[cH:101][cH:102]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:14]2[cH:13][cH:12][n:11][c:10]([Cl:9])[n:15]2)[cH:4][cH:5]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 775312,4-DichloropyrimidineHCID 581760Thiophene-3-boronic acidHCID 178420554HCID 178420554, compound

Product 1

HCID 141179422-Chloro-4-(thiophen-3-yl)pyrimidine

Sources & evidence

ORD record
ord-2e9cf7daa17346ca9c83af57ab9353c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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