Chloride → 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 1137040Notes

Reaction equation

HRID 1137040 reaction equation
[CH3:59][C:60]#[N:61].[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:49]([N:50]([CH2:51][CH3:52])[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57].[Cl-:58].[ClH:35].[NH2:36][c:37]1[cH:38][c:39](-[c:43]2[n:44][o:45][c:46](=[O:48])[nH:47]2)[cH:40][cH:41][cH:42]1.[S:31]([Cl:32])([Cl:33])=[O:34]>>[CH:1]1([C:7]2=[N:13][N:12]([CH2:14][C:15](=[O:16])[NH:36][c:37]3[cH:38][c:39](-[c:43]4[n:44][o:45][c:46](=[O:48])[nH:47]4)[cH:40][cH:41][cH:42]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 312ChlorideHCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 24386Thionyl 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-fa6f7bc90bad438d906dc790ed93573c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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