Ammonium → HCID 178523434, compound

HRID 2345211Notes

Reaction equation

HRID 2345211 reaction equation
[CH3:75][N:76]1[CH2:77][CH2:78][CH2:79][C:80]1=[O:81].[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl-:73].[F:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[c:7](=[O:15])[c:8]([C:12](=[O:13])[OH:14])[n:9][cH:10][cH:11]2)[cH:16][cH:17][c:18]1[F:19].[NH2:53][CH:54]([CH2:55][O:56][c:57]1[cH:58][c:59]2[c:60]([nH:61][c:62](=[O:64])[nH:63]2)[cH:65][cH:66]1)[c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[NH4+:74].[P-:20]([F:21])([F:22])([F:23])([F:24])([F:25])[F:26].[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[n:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[F:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[c:7](=[O:15])[c:8]([C:12](=[O:14])[NH:53][CH:54]([CH2:55][O:56][c:57]3[cH:58][c:59]4[c:60]([nH:61][c:62](=[O:64])[nH:63]4)[cH:65][cH:66]3)[c:67]3[cH:68][cH:69][cH:70][cH:71][cH:72]3)[n:9][cH:10][cH:11]2)[cH:16][cH:17][c:18]1[F:19]

Participants

10

Reactant 9

HCID 223AmmoniumHCID 312ChlorideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 584430534-(3,4-Difluorobenzyl)-3-oxo-3,4-dihydropyrazine-2-carboxylic acidHCID 1457058395-(2-Amino-2-phenylethoxy)-1,3-dihydrobenzimidazol-2-one

Product 1

HCID 178523434HCID 178523434, compound

Sources & evidence

ORD record
ord-a27c0f3b098b489fb33aebd5b8325fd7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…