Potassium Cation → 9-tert-butyl-2-isobutyramido-3-methoxy-13-(2-thienyl)-5,6,9,10,11,12-hexahydro-8H-azepino[4',3':4,5]pyrrolo[2,1-a]isoquinolin-8-one

HRID 1541286Notes

Reaction equation

HRID 1541286 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[C:6](=[O:31])[c:7]2[c:8]([c:9](-[c:23]3[s:24][cH:25][cH:26][cH:27]3)[c:10]3[n:11]2[CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:21][CH3:22])[c:17]([Br:20])[cH:18][c:19]2-3)[CH2:28][CH2:29][CH2:30]1.[C:32]([CH:33]([CH3:34])[CH3:35])(=[O:36])[NH2:37].[C:46]([P:47]([C:48]([CH3:49])([CH3:50])[CH3:51])[c:52]1[c:53]([CH3:54])[c:55]([CH3:56])[c:57]([CH3:58])[c:59]([CH3:60])[c:61]1-[c:62]1[c:63]([CH:64]([CH3:65])[CH3:66])[cH:67][c:68]([CH:69]([CH3:70])[CH3:71])[cH:72][c:73]1[CH:74]([CH3:75])[CH3:76])([CH3:77])([CH3:78])[CH3:79].[CH3:80][C:81]([OH:82])([CH3:83])[CH3:84].[K+:43].[K+:44].[K+:45].[OH2:85].[P:38]([O-:39])([O-:40])([O-:41])=[O:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[C:6](=[O:31])[c:7]2[c:8]([c:9](-[c:23]3[s:24][cH:25][cH:26][cH:27]3)[c:10]3[n:11]2[CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:21][CH3:22])[c:17]([NH:37][C:32]([CH:33]([CH3:34])[CH3:35])=[O:36])[cH:18][c:19]2-3)[CH2:28][CH2:29][CH2:30]1

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 6386tert-ButanolHCID 68424IsobutyramideHCID 11953610Di-tert-butyl[3,4,5,6-tetramethyl-2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl]phosphaneHCID 581248529-tert-butyl-2-bromo-3-methoxy-13-(2-thienyl)-5,6,9,10,11,12-hexahydro-8H-azepino[4',3':4,5]pyrrolo[2,1-a]isoquinolin-8-one

Product 1

HCID 509388529-tert-butyl-2-isobutyramido-3-methoxy-13-(2-thienyl)-5,6,9,10,11,12-hexahydro-8H-azepino[4',3':4,5]pyrrolo[2,1-a]isoquinolin-8-one

Sources & evidence

ORD record
ord-10a09478f0f64d1a9025c54bc0c16c6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…