Dimethylformamide → N-{3-[2-(4-Chloro-phenylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-methyl-phenyl}-3-trifluoromethyl benzamide

HRID 94553

反応式

HRID 94553 の反応式
[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:26])[c:6]([N:8]2[CH2:9][c:10]3[c:11]([n:12][c:13]([NH:16][c:17]4[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]4)[n:14][cH:15]3)[CH2:24][CH2:25]2)[cH:7]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH:27][C:28](=[O:29])[c:30]1[cH:31][cH:32][cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1.[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH3:26])[c:6]([N:8]2[CH2:9][c:10]3[c:11]([n:12][c:13]([NH:16][c:17]4[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]4)[n:14][cH:15]3)[CH2:24][CH2:25]2)[cH:7]1)[C:28](=[O:27])[c:30]1[cH:31][cH:32][cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1

参加物

7

反応物 6

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 99633-(Trifluoromethyl)benzoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 68253436[6-(5-Amino-2-methyl-phenyl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-2-yl]-(4-chloro-phenyl)amine

生成物 1

HCID 67328929N-{3-[2-(4-Chloro-phenylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-4-methyl-phenyl}-3-trifluoromethyl benzamide

出典と根拠

ORDレコード
ord-fb6ca231e434437882e938317e79ced6
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

関連ノート

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