Sodium ion → HCID 58204338, compound

HRID 2149398Notes

Reaction equation

HRID 2149398 reaction equation
[CH2:20]([CH3:21])[c:22]1[c:23]([B:28]([OH:29])[OH:30])[cH:24][cH:25][cH:26][cH:27]1.[CH3:31][C:32]#[N:33].[I:1][c:2]1[n:3][c:4]2[n:5]([cH:19]1)[CH2:6][CH2:7][O:8][c:9]1[c:10]-2[cH:11][cH:12][c:13]([C:15](=[O:16])[O:17][CH3:18])[cH:14]1.[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[c:2]1(-[c:23]2[c:22]([CH2:20][CH3:21])[cH:27][cH:26][cH:25][cH:24]2)[n:3][c:4]2[n:5]([cH:19]1)[CH2:6][CH2:7][O:8][c:9]1[c:10]-2[cH:11][cH:12][c:13]([C:15](=[O:16])[O:17][CH3:18])[cH:14]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 41008622-Ethylphenylboronic Acid (contains varying amounts of Anhydride)HCID 58204516Methyl 2-iodo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-9-carboxylateHCID 178420554HCID 178420554, compound

Product 1

HCID 58204338HCID 58204338, compound

Sources & evidence

ORD record
ord-8612a59a160e4f4485e2128a1df8c971
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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