Ammonium → HCID 58229857, compound

HRID 288634Notes

Reaction equation

HRID 288634 reaction equation
[Br-:52].[CH2:73]1[O:74][CH2:75][CH2:76][O:77][CH2:78]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:53][P+:54]([c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)([c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[Cl-:50].[F:7][C:8]([C:9](=[O:10])[NH:11][C:12]1([c:17]2[cH:18][cH:19][c:20](-[c:23]3[n:24][c:25]4[cH:26][cH:27][n:28]5[c:29]([c:30]4[cH:31][c:32]3-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[n:39][n:40][c:41]5-[c:42]3[n:43][cH:44][cH:45][cH:46][n:47]3)[cH:21][cH:22]2)[CH2:13][C:14](=[O:16])[CH2:15]1)([F:48])[F:49].[K+:6].[NH4+:51]>>[CH2:1]=[C:14]1[CH2:13][C:12]([NH:11][C:9]([C:8]([F:7])([F:48])[F:49])=[O:10])([c:17]2[cH:18][cH:19][c:20](-[c:23]3[n:24][c:25]4[cH:26][cH:27][n:28]5[c:29]([c:30]4[cH:31][c:32]3-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[n:39][n:40][c:41]5-[c:42]3[n:43][cH:44][cH:45][cH:46][n:47]3)[cH:21][cH:22]2)[CH2:15]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 813Potassium CationHCID 312751,4-DioxaneHCID 74506TriphenylmethylphosphoniumHCID 45749132-Methylpropan-2-olateHCID 582298532,2,2-trifluoro-N-(3-oxo-1-{-4-[9-phenyl-3-(2-pyrimidinyl)[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-8-yl]phenyl}cyclobutyl)acetamide

Product 1

HCID 58229857HCID 58229857, compound

Sources & evidence

ORD record
ord-8da7f9de487b40988846078dd2877784
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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