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Acetonitrile → Methyl 2-((4-(2-pyrrolidin-1-ylethoxy)phenyl)amino)pyrimidine-5-carboxylate

HRID 2337247
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HRID 2337247 반응식
[Br:12][c:13]1[cH:14][cH:15][c:16]([O:17][CH2:18][CH2:19][N:20]2[CH2:21][CH2:22][CH2:23][CH2:24]2)[cH:25][cH:26]1.[C:27](=[O:28])([O-:29])[O-:30].[CH3:95][C:96]#[N:97].[Cs+:31].[Cs+:32].[NH2:1][c:2]1[n:3][cH:4][c:5]([C:8](=[O:9])[O:10][CH3:11])[cH:6][n:7]1.[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[O:41]=[C:42]([CH:43]=[CH:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[O:59]=[C:60]([CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[Pd:39].[Pd:40]>>[NH:1]([c:2]1[n:3][cH:4][c:5]([C:8](=[O:9])[O:10][CH3:11])[cH:6][n:7]1)[c:13]1[cH:14][cH:15][c:16]([O:17][CH2:18][CH2:19][N:20]2[CH2:21][CH2:22][CH2:23][CH2:24]2)[cH:25][cH:26]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 23938Palladium2회HCID 312751,4-DioxaneHCID 70657N-(2-(p-bromophenoxy)ethyl)pyrrolidineHCID 95417Dibenzylidene acetone3회HCID 104967Cesium cation2회
HCID 9793866
Methyl 2-aminopyrimidine-5-carboxylate

생성물 1

HCID 59652731Methyl 2-((4-(2-pyrrolidin-1-ylethoxy)phenyl)amino)pyrimidine-5-carboxylate

출처 및 근거

ORD 기록
ord-0ee803bc851d4e1084404e2e728869ea
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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