Dimethylformamide → N,N-Diethyl-N'-(2-((4-fluorobenzyl)carbamoyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)ethanediamide

HRID 662575Notes

Reaction equation

HRID 662575 reaction equation
[CH2:28]([CH3:29])[N:30]([C:31]([C:32](=[O:33])[OH:34])=[O:35])[CH2:36][CH3:37].[CH3:76][N:77]([CH3:78])[c:79]1[cH:80][cH:81][n:82][cH:83][cH:84]1.[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[NH2:1][C:2]12[c:3]3[n:4]([c:11](=[O:27])[c:12]([OH:26])[c:13]([C:15](=[O:16])[NH:17][CH2:18][c:19]4[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]4)[n:14]3)[CH2:5][CH:6]([CH2:7][CH2:8]1)[CH2:9][CH2:10]2.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[NH:1]([C:2]12[c:3]3[n:4]([c:11](=[O:27])[c:12]([OH:26])[c:13]([C:15](=[O:16])[NH:17][CH2:18][c:19]4[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]4)[n:14]3)[CH2:5][CH:6]([CH2:7][CH2:8]1)[CH2:9][CH2:10]2)[C:32]([C:31]([N:30]([CH2:28][CH3:29])[CH2:36][CH3:37])=[O:35])=[O:33]

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 142844-(Dimethylamino)pyridineHCID 81531DiisopropylethylamineHCID 4180752(Diethylamino)(oxo)acetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 5790475010-Amino-N-(4-fluorobenzyl)-3-hydroxy-4-oxo-4,6,7,8,9,10-hexahydro-7,10-ethanopyrimido[1,2-a]azepine-2-carboxamide

Product 1

HCID 57904919N,N-Diethyl-N'-(2-((4-fluorobenzyl)carbamoyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)ethanediamide

Sources & evidence

ORD record
ord-ae8331dcb69f4d74a8ab99b0b26aca0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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