Sodium ion → tert-Butyl (1-{4-[2-(2-aminopyridin-3-yl)-5-{3-[2-(dimethylcarbamoyl) morpholin-4-yl]phenyl}-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}cyclobutyl)carbamate

HRID 1567676Notes

Reaction equation

HRID 1567676 reaction equation
[CH3:36][N:37]([C:38](=[O:39])[CH:40]1[O:41][CH2:42][CH2:43][N:44]([c:46]2[cH:47][c:48]([B:52]3[O:53][C:54]([CH3:55])([CH3:56])[C:57]([CH3:58])([CH3:59])[O:60]3)[cH:49][cH:50][cH:51]2)[CH2:45]1)[CH3:61].[CH3:69][CH2:70][O:71][C:72]([CH3:73])=[O:74].[NH2:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1-[c:8]1[n:9][c:10]2[c:11]([n:12][c:13]([Cl:16])[cH:14][cH:15]2)[n:17]1-[c:18]1[cH:19][cH:20][c:21]([C:24]2([NH:28][C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:25][CH2:26][CH2:27]2)[cH:22][cH:23]1.[Na+:63].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH-:62]>>[NH2:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1-[c:8]1[n:9][c:10]2[c:11]([n:12][c:13](-[c:48]3[cH:47][c:46]([N:44]4[CH2:43][CH2:42][O:41][CH:40]([C:38]([N:37]([CH3:36])[CH3:61])=[O:39])[CH2:45]4)[cH:51][cH:50][cH:49]3)[cH:14][cH:15]2)[n:17]1-[c:18]1[cH:19][cH:20][c:21]([C:24]2([NH:28][C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:25][CH2:26][CH2:27]2)[cH:22][cH:23]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 961HydroxideHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 71138530N,N-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-2-carboxamideHCID 86675348tert-butyl (1-(4-(2-(2-aminopyridin-3-yl)-5-chloro-3H-imidazo[4,5-b]pyridin-3-yl)phenyl)cyclobutyl)carbamate

Product 1

HCID 71142527tert-Butyl (1-{4-[2-(2-aminopyridin-3-yl)-5-{3-[2-(dimethylcarbamoyl) morpholin-4-yl]phenyl}-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}cyclobutyl)carbamate

Sources & evidence

ORD record
ord-211c707892df43cb8e4ce35144468b2d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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