Dichloromethane → 8-(Isobutyl-methyl-amino)-2-[3-(3-methyl-isoxazol-5-yl)-phenyl]-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepine-7-carbonitrile

HRID 812818Notes

Reaction equation

HRID 812818 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:22][C:23]([CH2:24][C:25](=[O:5])[c:27]2[cH:28][c:29](-[c:33]3[cH:34][c:35]([CH3:38])[n:36][o:37]3)[cH:30][cH:31][cH:32]2)=[O:39])[cH:10][c:11]([C:20]#[N:21])[c:12]([N:14]([CH3:15])[CH2:16][CH:17]([CH3:18])[CH3:19])[cH:13]1)([CH3:6])([CH3:26])[CH3:40].[Cl:48][CH2:49][Cl:50].[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47]>>[N:7]1=[C:25]([c:27]2[cH:28][c:29](-[c:33]3[cH:34][c:35]([CH3:38])[n:36][o:37]3)[cH:30][cH:31][cH:32]2)[CH2:24][C:23](=[O:39])[NH:22][c:9]2[c:8]1[cH:13][c:12]([N:14]([CH3:15])[CH2:16][CH:17]([CH3:18])[CH3:19])[c:11]([C:20]#[N:21])[cH:10]2

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86586880HCID 86586880, compound

Product 1

HCID 186134948-(Isobutyl-methyl-amino)-2-[3-(3-methyl-isoxazol-5-yl)-phenyl]-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepine-7-carbonitrile

Sources & evidence

ORD record
ord-ae94df347cfb4d9682225be5e03a29af
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

Loading…