Ethanol → N-[1-[5-[5-[4-(dimethylamino)phenyl]pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

HRID 686182Notes

Reaction equation

HRID 686182 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[N:10]2[CH:11]3[CH2:12][N:13]([C:17](=[O:18])[CH:19]([C:20]([CH3:21])([CH3:22])[CH3:23])[NH:24][C:25](=[O:26])[c:27]4[nH:28][c:29]5[cH:30][cH:31][cH:32][cH:33][c:34]5[cH:35]4)[CH:14]([CH2:15]2)[CH2:16]3)[n:6][cH:7]1.[C:48](=[O:49])([O-:50])[O-:51].[CH3:36][N:37]([c:38]1[cH:39][cH:40][c:41]([B:44]([OH:45])[OH:46])[cH:42][cH:43]1)[CH3:47].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH3:62][CH2:63][OH:64].[K+:52].[K+:53].[OH2:54].[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1>>[c:2]1(-[c:41]2[cH:40][cH:39][c:38]([N:37]([CH3:36])[CH3:47])[cH:43][cH:42]2)[cH:3][cH:4][c:5]([C:8](=[O:9])[N:10]2[CH:11]3[CH2:12][N:13]([C:17](=[O:18])[CH:19]([C:20]([CH3:21])([CH3:22])[CH3:23])[NH:24][C:25](=[O:26])[c:27]4[nH:28][c:29]5[cH:30][cH:31][cH:32][cH:33][c:34]5[cH:35]4)[CH:14]([CH2:15]2)[CH2:16]3)[n:6][cH:7]1

Participants

9

Reactant 8

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 27343444-(Dimethylamino)phenylboronic acidHCID 77221411N-[1-[5-(5-bromopyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamideHCID 178420554HCID 178420554, compound

Product 1

HCID 77221346N-[1-[5-[5-[4-(dimethylamino)phenyl]pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

Sources & evidence

ORD record
ord-d4966ad9c3cf4657ae9dbedeb330603c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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