Sodium ion → 1-[3-[[4-(Dimethylamino)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-4-hydroxypyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
Reaction equation
[CH2:111]1[O:112][CH2:113][CH2:114][O:115][CH2:116]1.[CH3:42][C:43]([CH3:44])([O-:45])[CH3:46].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:7][c:8]1[n:9][c:10]([N:18]([CH3:19])[CH3:20])[c:11]2[c:12]([n:13]1)[cH:14][c:15]([CH3:17])[s:16]2.[NH2:1][N:2]1[CH2:3][CH2:4][CH2:5][CH2:6]1.[NH2:21][CH:22]1[CH2:23][N:24]([C:28]([CH2:29][c:30]2[cH:31][cH:32][c:33]([O:36][C:37]([F:38])([F:39])[F:40])[cH:34][cH:35]2)=[O:41])[CH2:25][CH:26]1[OH:27].[Na+:47].[O:57]=[C:58]([CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[O:75]=[C:76]([CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1)[CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[O:93]=[C:94]([CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1)[CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[OH2:54].[Pd:55].[Pd:56]>>[c:8]1([NH:21][CH:22]2[CH2:23][N:24]([C:28]([CH2:29][c:30]3[cH:31][cH:32][c:33]([O:36][C:37]([F:38])([F:39])[F:40])[cH:34][cH:35]3)=[O:41])[CH2:25][CH:26]2[OH:27])[n:9][c:10]([N:18]([CH3:19])[CH3:20])[c:11]2[c:12]([n:13]1)[cH:14][c:15]([CH3:17])[s:16]2Participants
11
Reactant 10
HCID 923Sodium ion
HCID 962Water
HCID 8857Ethyl Acetate
HCID 23938Palladium2×
HCID 279461-Pyrrolidinamine
HCID 312751,4-Dioxane
HCID 95417Dibenzylidene acetone3×
HCID 45749132-Methylpropan-2-olate
HCID 579700892-chloro-N,N,6-trimethylthieno[3,2-d]pyrimidin-4-amine
HCID 766774691-(3-Amino-4-hydroxypyrrolidin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanoneProduct 1
Sources & evidence
- ORD record
- ord-9529931bfb324f158917f708dc4ba20b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…