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Sodium Ion → 4-tert-Butyl-N-{3-[6-(4-formyl-phenylamino)-4-methyl-5-oxo-4,5-dihydro-pyrazin-2-yl]-2-methyl-phenyl}-benzamide

HRID 159418
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HRID 159418 반응식
[Br:1][c:2]1[cH:3][n:4]([CH3:18])[c:5](=[O:17])[c:6]([NH:8][c:9]2[cH:10][cH:11][c:12]([CH:13]=[O:14])[cH:15][cH:16]2)[n:7]1.[C:19]([CH3:20])([CH3:21])([CH3:22])[c:23]1[cH:24][cH:25][c:26]([C:27](=[O:28])[NH:29][c:30]2[c:31]([CH3:45])[c:32]([B:36]3[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]3)[cH:33][cH:34][cH:35]2)[cH:46][cH:47]1.[CH3:54][O:55][CH2:56][CH2:57][O:58][CH3:59].[Na+:48].[Na+:49].[O-:50][C:51](=[O:52])[O-:53].[OH2:137].[cH:60]1[cH:61][cH:62][c:63]([P:64]([Pd:65]([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[cH:135][cH:136]1>>[c:2]1(-[c:32]2[c:31]([CH3:45])[c:30]([NH:29][C:27]([c:26]3[cH:25][cH:24][c:23]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:47][cH:46]3)=[O:28])[cH:35][cH:34][cH:33]2)[cH:3][n:4]([CH3:18])[c:5](=[O:17])[c:6]([NH:8][c:9]2[cH:10][cH:11][c:12]([CH:13]=[O:14])[cH:15][cH:16]2)[n:7]1
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8

반응물 7

HCID 923Sodium Ion2회HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 587289094-(6-Bromo-4-methyl-3-oxo-3,4-dihydro-pyrazin-2-ylamino)-benzaldehydeHCID 587289934-(tert-Butyl)-N-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide
HCID 178420554
HCID 178420554, 화합물

생성물 1

HCID 587291394-tert-Butyl-N-{3-[6-(4-formyl-phenylamino)-4-methyl-5-oxo-4,5-dihydro-pyrazin-2-yl]-2-methyl-phenyl}-benzamide

출처 및 근거

ORD 기록
ord-1e84dada4d75437e8b9f5d7a578b6926
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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