Potassium Cation → HCID 67503395, compound

HRID 1145233Notes

Reaction equation

HRID 1145233 reaction equation
[C:58](=[O:59])([O-:60])[O-:61].[C:64](=[O:65])([O-:66])[O-:67].[CH3:77][CH2:78][O:79][C:80]([CH3:81])=[O:82].[Cl:1][c:2]1[n:3][c:4]2[n:5]([c:19]1-[c:20]1[cH:21][cH:22][c:23]([C:26]3([NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[CH2:27][CH2:28][CH2:29]3)[cH:24][cH:25]1)-[c:6]1[c:7]([n:15][cH:16][cH:17][cH:18]1)[NH:8][c:9]1[c:10]-2[cH:11][cH:12][cH:13][cH:14]1.[I:70][CH3:71].[K+:68].[K+:69].[Na+:62].[Na+:63].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH:38][c:39]1[c:40]([C:41](=[O:42])[O:43][CH3:44])[cH:45][cH:46][c:47]([B:49]2[O:50][C:51]([CH3:52])([CH3:53])[C:54]([CH3:55])([CH3:56])[O:57]2)[cH:48]1>>[c:2]1(-[c:47]2[cH:46][cH:45][c:40]([C:41](=[O:42])[O:43][CH3:44])[c:39]([OH:38])[cH:48]2)[n:3][c:4]2[n:5]([c:19]1-[c:20]1[cH:21][cH:22][c:23]([C:26]3([NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[CH2:27][CH2:28][CH2:29]3)[cH:24][cH:25]1)-[c:6]1[c:7]([n:15][cH:16][cH:17][cH:18]1)[NH:8][c:9]1[c:10]-2[cH:11][cH:12][cH:13][cH:14]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 6328Methyl iodideHCID 8857Ethyl AcetateHCID 19660Carbonate Ion2×HCID 17998928Methyl 2-hydroxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoateHCID 136331866tert-butyl {1-[4-(2-chloro-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl)phenyl]cyclobutyl}carbamate

Product 1

HCID 67503395HCID 67503395, compound

Sources & evidence

ORD record
ord-7e989b152e1c4565b4f577a7420285e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…