1,2-Dichloroethane → tert-butyl N-[4-oxo-4-(2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate

HRID 1120377Notes

Reaction equation

HRID 1120377 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11](=[O:12])[OH:13])[CH2:14][c:15]1[c:16]([F:23])[cH:17][c:18]([F:22])[c:19]([F:21])[cH:20]1.[CH2:34]([Cl:35])[CH2:36][Cl:37].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:66][CH2:67][Cl:68].[F:47][C:48]([F:49])([F:50])[C:51]([OH:52])=[O:53].[NH:54]1[C:55](=[O:65])[CH2:56][NH:57][CH2:58][c:59]2[c:60]1[cH:61][cH:62][cH:63][cH:64]2.[OH:24][n:25]1[c:26]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[n:32][n:33]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11](=[O:13])[N:57]1[CH2:56][C:55](=[O:65])[NH:54][c:60]2[c:59]([cH:64][cH:63][cH:62][cH:61]2)[CH2:58]1)[CH2:14][c:15]1[c:16]([F:23])[cH:17][c:18]([F:22])[c:19]([F:21])[cH:20]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 192746Tetrahydro-1,4-benzodiazepin-2-oneHCID 21911205Boc-(R)-3-Amino-4-(2,4,5-trifluoro-phenyl)-butyric acid

Product 1

HCID 77552352tert-butyl N-[4-oxo-4-(2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate

Sources & evidence

ORD record
ord-83c65a94f5484b87856dede9df6fbb6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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