Hydrochloric Acid → tert-butyl N-[1-[[5-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

HRID 2162864Notes

Reaction equation

HRID 2162864 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5](=[O:6])[CH2:7][N:8]1[C:9](=[O:26])[CH:10]([NH2:25])[CH2:11][N:12]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:13]2[c:14]1[cH:15][cH:16][cH:17][cH:18]2.[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[NH:34][CH:35]([CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[C:43](=[O:44])[OH:45].[CH2:57]([N:58]=[C:59]=[N:60][CH2:61][CH2:62][CH2:63][N:64]([CH3:65])[CH3:66])[CH3:67].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[CH3:80][CH2:81][N:82]([CH2:83][CH3:84])[CH2:85][CH3:86].[CH:68]([N:69]([CH3:70])[CH3:71])=[O:72].[ClH:56].[OH2:79].[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5](=[O:6])[CH2:7][N:8]1[C:9](=[O:26])[CH:10]([NH:25][C:43]([CH:35]([NH:34][C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[O:44])[CH2:11][N:12]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:13]2[c:14]1[cH:15][cH:16][cH:17][cH:18]2

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 2696982-{[(Tert-butoxy)carbonyl]amino}-3-phenylpropanoic acidHCID 212016651-tert-butylcarbonylmethyl-2-oxo-3-amino-5-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine

Product 1

HCID 21201547tert-butyl N-[1-[[5-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Sources & evidence

ORD record
ord-2257483759394da4aef22b1628506d61
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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