Toluene → 6-(5-(isoquinolin-1-ylamino)-2-methylphenyl)-2-(4-(4-methylpiperazin-1-yl)phenylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-5(6H)-one

HRID 301902

反応式

HRID 301902 の反応式
[Br:80][c:81]1[n:82][cH:83][cH:84][c:85]2[cH:86][cH:87][cH:88][cH:89][c:90]12.[C:91](=[O:92])([O-:93])[O-:94].[CH3:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Cs+:95].[Cs+:96].[NH2:47][c:48]1[cH:49][cH:50][c:51]([CH3:79])[c:52]([N:54]2[C:55](=[O:78])[c:56]3[c:57]([n:58][c:59]([NH:62][c:63]4[cH:64][cH:65][c:66]([N:69]5[CH2:70][CH2:71][N:72]([CH3:75])[CH2:73][CH2:74]5)[cH:67][cH:68]4)[n:60][cH:61]3)[CH2:76][CH2:77]2)[cH:53]1.[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:14][cH:15][cH:16][cH:17]3)[c:18]2-[c:19]2[c:20]3[c:21]([cH:22][cH:23][cH:24][cH:25]3)[cH:26][cH:27][c:28]2[P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[NH:47]([c:48]1[cH:49][cH:50][c:51]([CH3:79])[c:52]([N:54]2[C:55](=[O:78])[c:56]3[c:57]([n:58][c:59]([NH:62][c:63]4[cH:64][cH:65][c:66]([N:69]5[CH2:70][CH2:71][N:72]([CH3:75])[CH2:73][CH2:74]5)[cH:67][cH:68]4)[n:60][cH:61]3)[CH2:76][CH2:77]2)[cH:53]1)[c:81]1[n:82][cH:83][cH:84][c:85]2[cH:86][cH:87][cH:88][cH:89][c:90]12

参加物

7

反応物 6

HCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2 回HCID 634876Binap, (A+-)-HCID 6409631-BromoisoquinolineHCID 673296826-(5-Amino-2-methyl-phenyl)-2-[4-(4-methyl-piperazin-1-yl)-phenylamino]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

生成物 1

HCID 673292006-(5-(isoquinolin-1-ylamino)-2-methylphenyl)-2-(4-(4-methylpiperazin-1-yl)phenylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-5(6H)-one

出典と根拠

ORDレコード
ord-0c0755d8d7ac4fe2b7278e8d846ada8a
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

関連ノート

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