Ethanolamine → 5-(8-(2-Hydroxyethylamino)isoquinolin-3-ylamino)pyrazine-2-carbonitrile

HRID 173008Notes

Reaction equation

HRID 173008 reaction equation
[Br:43][c:44]1[cH:45][cH:46][cH:47][c:48]2[cH:49][c:50]([NH:54][c:55]3[n:56][cH:57][c:58]([C:61]#[N:62])[n:59][cH:60]3)[n:51][cH:52][c:53]12.[C:67](=[O:68])([O-:69])[O-:70].[CH3:1][C:2]1([CH3:3])[c:4]2[cH:5][cH:6][cH:7][c:8]([P:9]([c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:22]2[O:23][c:24]2[c:25]1[cH:26][cH:27][cH:28][c:29]2[P:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[Cs+:71].[Cs+:72].[NH2:63][CH2:64][CH2:65][OH:66].[O:105]=[C:106]([CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1)[CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[O:123]=[C:124]([CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1)[CH:133]=[CH:134][c:135]1[cH:136][cH:137][cH:138][cH:139][cH:140]1.[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[Pd:85].[Pd:86]>>[c:44]1([NH:63][CH2:64][CH2:65][OH:66])[cH:45][cH:46][cH:47][c:48]2[cH:49][c:50]([NH:54][c:55]3[n:56][cH:57][c:58]([C:61]#[N:62])[n:59][cH:60]3)[n:51][cH:52][c:53]12

Participants

10

Reactant 9

HCID 700EthanolamineHCID 1140TolueneHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 442046545-(8-Bromoisoquinolin-3-ylamino)pyrazine-2-carbonitrile

Product 1

HCID 442045575-(8-(2-Hydroxyethylamino)isoquinolin-3-ylamino)pyrazine-2-carbonitrile

Sources & evidence

ORD record
ord-f55ee6f1d097483e92dd179169644a3f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…