Hydrochloric Acid → N-(2-Benzyloxy-5-oxotetrahydrofuran-3-yl)-6,10-dioxo-octahydro-9-(3-phenylpropionylamino)-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxamide

HRID 1117633Notes

Reaction equation

HRID 1117633 reaction equation
[CH2:28]([O:29][C:30](=[O:31])[NH:34][CH:35]1[CH:36]([O:41][CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[O:37][C:38](=[O:40])[CH2:39]1)[CH:32]=[CH2:33].[CH2:49]([SnH:50]([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH3:61].[CH3:73][N:74]([CH3:75])[CH2:76][CH2:77][CH2:78][N:79]=[C:80]=[N:81][CH2:82][CH3:83].[CH3:92][CH2:93][O:94][C:95](=[O:96])[CH3:97].[Cl:84][CH2:85][Cl:86].[ClH:72].[O:1]=[C:2]1[N:3]2[N:4]([C:5](=[O:20])[CH:6]([NH:9][C:10]([CH2:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)=[O:19])[CH2:7][CH2:8]1)[CH:21]([C:25](=[O:26])[OH:27])[CH2:22][CH2:23][CH2:24]2.[O:87]=[CH:88][N:89]([CH3:90])[CH3:91].[OH:62][n:63]1[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[O:1]=[C:2]1[N:3]2[N:4]([C:5](=[O:20])[CH:6]([NH:9][C:10]([CH2:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)=[O:19])[CH2:7][CH2:8]1)[CH:21]([C:25](=[O:26])[NH:34][CH:35]1[CH:36]([O:41][CH2:42][c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[O:37][C:38](=[O:40])[CH2:39]1)[CH2:22][CH2:23][CH2:24]2

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 5948TributylstannaneHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 184690426,10-dioxo-7-(3-phenylpropanoylamino)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxylic acidHCID 22321532(2-Benzyloxy-5-oxo-tetrahydro-furan-3-yl)-carbamic acid allyl ester

Product 1

HCID 18465764N-(2-Benzyloxy-5-oxotetrahydrofuran-3-yl)-6,10-dioxo-octahydro-9-(3-phenylpropionylamino)-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxamide

Sources & evidence

ORD record
ord-1ae17df1e2c4470499aebcb575c7e044
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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