Hydrochloric Acid → Ethyl 5-benzoyloxy-1-[[2-(3-fluoropyrrolidin-1-yl)-2-oxoacetyl]-methylamino]-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxylate

HRID 1126806Notes

Reaction equation

HRID 1126806 reaction equation
[CH3:2][NH:3][C:4]12[c:5]3[n:6]([c:13](=[O:31])[c:14]([O:22][C:23](=[O:24])[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[c:15]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[n:16]3)[CH2:7][CH:8]([CH2:9][CH2:10]1)[CH2:11][CH2:12]2.[CH3:81][N:82]([CH3:83])[c:84]1[cH:85][cH:86][n:87][cH:88][cH:89]1.[CH:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH2:48][CH3:49])([CH3:50])[CH3:51].[ClH:1].[F:32][CH:33]1[CH2:34][N:35]([C:38]([C:39](=[O:40])[OH:41])=[O:42])[CH2:36][CH2:37]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[P-:52]([F:53])([F:54])([F:55])([F:56])([F:57])[F:58].[n:59]1([O:60][C:61]([N:62]([CH3:63])[CH3:64])=[N+:65]([CH3:66])[CH3:67])[c:68]2[n:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]1>>[CH3:2][N:3]([C:4]12[c:5]3[n:6]([c:13](=[O:31])[c:14]([O:22][C:23](=[O:24])[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[c:15]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[n:16]3)[CH2:7][CH:8]([CH2:9][CH2:10]1)[CH2:11][CH2:12]2)[C:39]([C:38]([N:35]1[CH2:34][CH:33]([F:32])[CH2:37][CH2:36]1)=[O:42])=[O:41]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 142844-(Dimethylamino)pyridineHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57904909Ethyl 5-benzoyloxy-1-(methylamino)-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxylateHCID 665888682-(3-Fluoropyrrolidin-1-yl)-2-oxoacetic acid

Product 1

HCID 77149386Ethyl 5-benzoyloxy-1-[[2-(3-fluoropyrrolidin-1-yl)-2-oxoacetyl]-methylamino]-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxylate

Sources & evidence

ORD record
ord-0dc1b7084ad0428981c1bf0aa348a158
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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