1,2-Dichloroethane → N-[3,3-dimethyl-1-oxo-1-[5-(5-phenylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-yl]-1H-indole-2-carboxamide

HRID 200720Notes

Reaction equation

HRID 200720 reaction equation
[C:65](=[O:66])([O-:67])[O-:68].[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:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[Cl:71][CH2:72][Cl:73].[Na+:69].[Na+:70].[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1.[c:41]1(-[c:47]2[cH:48][cH:49][c:50]([C:53](=[O:54])[OH:55])[n:51][cH:52]2)[cH:42][cH:43][cH:44][cH:45][cH:46]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:53]([c:50]3[cH:49][cH:48][c:47](-[c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[cH:52][n:51]3)=[O:54])[CH2:6]1)[CH2:7]2

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 27628705-phenylpyridine-2-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 75083866N-[3,3-dimethyl-1-oxo-1-[5-(5-phenylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-yl]-1H-indole-2-carboxamide

Sources & evidence

ORD record
ord-6de4c6b49934403dacdda06e9230482b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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