Chloride → HCID 178480019, compound

HRID 1210653Notes

Reaction equation

HRID 1210653 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([c:6]3[c:7]([c:8]4[cH:9][cH:10][nH:11][c:12](=[O:14])[c:13]24)[nH:15][c:16](-[c:18]2[c:19]([Cl:24])[cH:20][cH:21][cH:22][cH:23]2)[n:17]3)[cH:25][cH:26]1.[C:55](=[O:56])([O-:57])[O-:58].[CH3:29][n:30]1[n:31][cH:32][c:33]([B:35]2[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]2)[cH:34]1.[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Cl-:28].[Li+:27].[Na+:59].[Na+:60].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137]1>>[c:2]1(-[c:33]2[cH:32][n:31][n:30]([CH3:29])[cH:34]2)[cH:3][c:4]2[c:5]([c:6]3[c:7]([c:8]4[cH:9][cH:10][nH:11][c:12](=[O:14])[c:13]24)[nH:15][c:16](-[c:18]2[c:19]([Cl:24])[cH:20][cH:21][cH:22][cH:23]2)[n:17]3)[cH:25][cH:26]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 28486Lithium ionHCID 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 178420554HCID 178420554, compoundHCID 1785186779-Bromo-2-(2-chlorophenyl)-3,6-dihydro-7H-benzo[h]imidazo[4,5-f]isoquinolin-7-one

Product 1

HCID 178480019HCID 178480019, compound

Sources & evidence

ORD record
ord-fa1d13b7e8ec4fe7884f8c0e55b134ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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