Dimethylformamide → 2-[5-Cyclohexyl-1-(2-cyclopentyl-2-oxo-ethyl)-2-oxo-1,2-dihydro-benzo[e][1,2,4]triazepin-3-yl]-N-[3-(5-oxo-4,5-dihydro-[1,2,4]oxadiazol-3-yl)-phenyl]-acetamide

HRID 699978Notes

Reaction equation

HRID 699978 reaction equation
[CH3:62][C:63]#[N:64].[CH:1]1([C:7]2=[N:13][N:12]([CH2:14][C:15](=[O:16])[OH:17])[C:11](=[O:18])[N:10]([CH2:19][C:20](=[O:21])[CH:22]3[CH2:23][CH2:24][CH2:25][CH2:26]3)[c:9]3[c:8]2[cH:30][cH:29][cH:28][cH:27]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[Cl:31][C:32]([C:33]([Cl:34])=[O:35])=[O:36].[Cl:59][CH2:60][Cl:61].[NH2:37][c:38]1[cH:39][c:40](-[c:44]2[n:45][o:46][c:47](=[O:49])[nH:48]2)[cH:41][cH:42][cH:43]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69]>>[CH:1]1([C:7]2=[N:13][N:12]([CH2:14][C:15](=[O:16])[NH:37][c:38]3[cH:39][c:40](-[c:44]4[n:45][o:46][c:47](=[O:49])[nH:48]4)[cH:41][cH:42][cH:43]3)[C:11](=[O:18])[N:10]([CH2:19][C:20](=[O:21])[CH:22]3[CH2:23][CH2:24][CH2:25][CH2:26]3)[c:9]3[c:8]2[cH:30][cH:29][cH:28][cH:27]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 65578Oxalyl chlorideHCID 81531DiisopropylethylamineHCID 16733315[5-Cyclohexyl-1-(2-cyclopentyl-2-oxo-ethyl)-2-oxo-1,2-dihydro-benzo[e][1,2,4]triazepin-3-yl]-acetic acidHCID 1354464123-(3-Aminophenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one

Product 1

HCID 1354234042-[5-Cyclohexyl-1-(2-cyclopentyl-2-oxo-ethyl)-2-oxo-1,2-dihydro-benzo[e][1,2,4]triazepin-3-yl]-N-[3-(5-oxo-4,5-dihydro-[1,2,4]oxadiazol-3-yl)-phenyl]-acetamide

Sources & evidence

ORD record
ord-a9516d3a1241476c8f1ad687644405db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…