Hydrochloric Acid → HCID 57904985, compound

HRID 1238613Notes

Reaction equation

HRID 1238613 reaction equation
[CH3:71][N:72]([CH3:73])[c:74]1[cH:75][cH:76][n:77][cH:78][cH:79]1.[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[ClH:85].[F:28][CH2:29][CH2:30][N:31]([C:32]([C:33](=[O:34])[OH:35])=[O:36])[CH3:37].[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:80]=[CH:81][N:82]([CH3:83])[CH3:84].[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:33]([C:32]([N:31]([CH2:30][CH2:29][F:28])[CH3:37])=[O:36])=[O:34]

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 55301814N-(2-fluoroethyl)-N-methyloxamic acidHCID 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 57904985HCID 57904985, compound

Sources & evidence

ORD record
ord-5bd8c009695c4e6a889d898f22db9500
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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