1,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole → tert-butyl (1-(4-(8-(1,5-dimethyl-1H-pyrazol-4-yl)-4-oxo-2-phenyl-4H-pyrano[2,3-c]pyridin-3-yl)phenyl)cyclobutyl)carbamate

HRID 298162Notes

Reaction equation

HRID 298162 reaction equation
[CH3:80][n:81]1[c:82]([CH3:83])[c:84]([B:85]2[O:86][C:87]([CH3:88])([CH3:89])[C:90]([CH3:91])([CH3:92])[O:93]2)[cH:94][n:95]1.[Cl:44][c:45]1[n:46][cH:47][cH:48][c:49]2[c:50](=[O:51])[c:52](-[c:53]3[cH:54][cH:55][c:56]([C:57]4([NH:58][C:59](=[O:60])[O:61][C:62]([CH3:63])([CH3:64])[CH3:65])[CH2:66][CH2:67][CH2:68]4)[cH:69][cH:70]3)[c:71](-[c:72]3[cH:73][cH:74][cH:75][cH:76][cH:77]3)[o:78][c:79]12.[O:1]=[c:2]1[c:3](-[c:26]2[cH:27][cH:28][c:29]([C:32]3([NH:36][C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[CH2:33][CH2:34][CH2:35]3)[cH:30][cH:31]2)[c:4](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[o:5][c:6]2[c:7](-[c:12]3[c:13]([CH3:19])[n:14][n:15]([CH3:18])[c:16]3[CH3:17])[n:8][cH:9][cH:10][c:11]12>>[O:1]=[c:2]1[c:3](-[c:26]2[cH:27][cH:28][c:29]([C:32]3([NH:36][C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[CH2:33][CH2:34][CH2:35]3)[cH:30][cH:31]2)[c:4](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[o:5][c:6]2[c:7](-[c:12]3[cH:13][n:14][n:15]([CH3:18])[c:16]3[CH3:17])[n:8][cH:9][cH:10][c:11]12

Participants

4

Reactant 3

HCID 426473131,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 86671031tert-Butyl 1-(4-(8-chloro-4-oxo-2-phenyl-4H-pyrano[2,3-c]pyridin-3-yl)phenyl)cyclobutylcarbamateHCID 86671060tert-butyl (1-(4-(4-oxo-2-phenyl-8-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4H-pyrano[2,3-c]pyridin-3-yl)phenyl)cyclobutyl)carbamate

Product 1

HCID 68227656tert-butyl (1-(4-(8-(1,5-dimethyl-1H-pyrazol-4-yl)-4-oxo-2-phenyl-4H-pyrano[2,3-c]pyridin-3-yl)phenyl)cyclobutyl)carbamate

Sources & evidence

ORD record
ord-3f6b861f540f43628d7ddae477cb95e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…