1,2-Dichloroethane → N-[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-carboxamide

HRID 2338126Notes

Reaction equation

HRID 2338126 reaction equation
[Br:27][c:28]1[cH:29][cH:30][c:31]([C:34](=[O:35])[OH:36])[n:32][cH:33]1.[CH2:37]([Cl:38])[CH2:39][Cl:40].[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.[Cl:51][CH2:52][Cl:53].[OH2:54].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]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:34]([c:31]3[cH:30][cH:29][c:28]([Br:27])[cH:33][n:32]3)=[O:35])[CH2:6]1)[CH2:7]2

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 962WaterHCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 6085445-Bromopyridine-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 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-carboxamide

Sources & evidence

ORD record
ord-8d3301807c1d4ac2b1c1c12f41722efe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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