Isopropanol → Methyl 3-amino-6-chloro-5-[4-[6-(4-fluorophenyl)-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]pyrazine-2-carboxylate

HRID 1118544

反応式

HRID 1118544 の反応式
[CH3:28][O:29][C:30](=[O:31])[c:32]1[n:33][c:34]([Cl:40])[c:35]([Cl:39])[n:36][c:37]1[NH2:38].[CH:41]([OH:42])([CH3:43])[CH3:44].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([N:21]3[CH:22]([CH3:27])[CH2:23][O:24][CH2:25][CH2:26]3)[n:11][c:12]([N:14]3[CH:15]([CH3:20])[CH2:16][NH:17][CH2:18][CH2:19]3)[cH:13]2)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([N:21]3[CH:22]([CH3:27])[CH2:23][O:24][CH2:25][CH2:26]3)[n:11][c:12]([N:14]3[CH:15]([CH3:20])[CH2:16][N:17]([c:35]4[c:34]([Cl:40])[n:33][c:32]([C:30]([O:29][CH3:28])=[O:31])[c:37]([NH2:38])[n:36]4)[CH2:18][CH2:19]3)[cH:13]2)[cH:6][cH:7]1

参加物

4

反応物 3

HCID 3776IsopropanolHCID 73828Methyl 3-amino-5,6-dichloropyrazine-2-carboxylateHCID 668388934-[4-(4-Fluoro-phenyl)-6-(2-methyl-piperazin-1-yl)-pyrimidin-2-yl]-3-methyl-morpholine

生成物 1

HCID 72236431Methyl 3-amino-6-chloro-5-[4-[6-(4-fluorophenyl)-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]pyrazine-2-carboxylate

出典と根拠

ORDレコード
ord-87e504883e1842659ea2564855b65550
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

関連ノート

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