Potassium Cation → 9-tert-butyl-2,13-di-(pyridin3-yl)-3-methoxy-5,6,9,10,11,12-hexahydro-8H-azepino[4',3':4,5]pyrrolo[2,1-a]isoquinolin-8-one
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[C:6](=[O:32])[c:7]2[c:8]([c:9]([Br:28])[c:10]3[n:11]2[CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:26][CH3:27])[c:17](-[c:20]4[cH:21][n:22][cH:23][cH:24][cH:25]4)[cH:18][c:19]2-3)[CH2:29][CH2:30][CH2:31]1.[CH2:48]([CH2:49][O:50][CH3:51])[O:52][CH3:53].[K+:42].[K+:43].[O-:44][C:45]([O-:46])=[O:47].[OH2:54].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([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)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([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)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([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)[cH:130][cH:131]1.[n:33]1[cH:34][c:35]([B:39]([OH:40])[OH:41])[cH:36][cH:37][cH:38]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[C:6](=[O:32])[c:7]2[c:8]([c:9](-[c:35]3[cH:34][n:33][cH:38][cH:37][cH:36]3)[c:10]3[n:11]2[CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:26][CH3:27])[c:17](-[c:20]4[cH:21][n:22][cH:23][cH:24][cH:25]4)[cH:18][c:19]2-3)[CH2:29][CH2:30][CH2:31]1Participants
8
Reactant 7
HCID 813Potassium Cation2×
HCID 962Water
HCID 80711,2-Dimethoxyethane
HCID 19660Carbonate Ion
HCID 27343783-Pyridinylboronic acid
HCID 581248219-tert-butyl-2-pyridin-3-yl-13-bromo-3-methoxy-5,6,9,10,11,12-hexahydro-8H-azepino[4',3':4,5]pyrrolo[2,1-a]isoquinolin-8-one
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-8f4b44a969df4bbd97094596ff48cb79
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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