1,2-Dichloroethane → N-[1-[5-[5-(5-cyano-2-pyridinyl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

HRID 1226426Notes

Reaction equation

HRID 1226426 reaction equation
[C:41](#[N:42])[c:43]1[cH:44][cH:45][c:46](-[c:49]2[cH:50][n:51][c:52]([C:55](=[O:56])[OH:57])[cH:53][cH:54]2)[n:47][cH:48]1.[C:70](=[O:71])([O-:72])[O-:73].[CH2:27]([Cl:28])[CH2:29][Cl:30].[CH:1]12[N:2]([C:8](=[O:9])[CH:10]([C:11]([CH3:12])([CH3:13])[CH3:14])[NH:15][C:16](=[O:17])[c:18]3[nH:19][c:20]4[cH:21][cH:22][cH:23][cH:24][c:25]4[cH:26]3)[CH2:3][CH:4]([NH:5][CH2:6]1)[CH2:7]2.[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[Cl:67][CH2:68][Cl:69].[Na+:74].[Na+:75].[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1>>[CH:1]12[N:2]([C:8](=[O:9])[CH:10]([C:11]([CH3:12])([CH3:13])[CH3:14])[NH:15][C:16](=[O:17])[c:18]3[nH:19][c:20]4[cH:21][cH:22][cH:23][cH:24][c:25]4[cH:26]3)[CH2:3][CH:4]([N:5]([C:55]([c:52]3[n:51][cH:50][c:49](-[c:46]4[cH:45][cH:44][c:43]([C:41]#[N:42])[cH:48][n:47]4)[cH:54][cH:53]3)=[O:56])[CH2:6]1)[CH2:7]2

Participants

10

Reactant 9

HCID 111,2-DichloroethaneHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 582865945-Cyano-2,3'-bipyridine-6'-carboxylic acidHCID 77221430N-[1-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

Product 1

HCID 75083925N-[1-[5-[5-(5-cyano-2-pyridinyl)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-ad316c44d1d243cc9b5a90da33e0a0ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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