Pyridine → N-[4-[4-amino-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-2-phenylcyclopropane-1-carboxamide

HRID 304801

反応式

HRID 304801 の反応式
[Cl:39][CH2:40][Cl:41].[NH2:13][c:14]1[c:15]([O:37][CH3:38])[cH:16][c:17](-[c:20]2[n:21][n:22]([CH:30]3[CH2:31][CH2:32][N:33]([CH3:36])[CH2:34][CH2:35]3)[c:23]3[n:24][cH:25][n:26][c:27]([NH2:29])[c:28]23)[cH:18][cH:19]1.[c:1]1([CH:7]2[CH:8]([C:10](=[O:11])[Cl:12])[CH2:9]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[c:1]1([CH:7]2[CH:8]([C:10](=[O:11])[NH:13][c:14]3[c:15]([O:37][CH3:38])[cH:16][c:17](-[c:20]4[n:21][n:22]([CH:30]5[CH2:31][CH2:32][N:33]([CH3:36])[CH2:34][CH2:35]5)[c:23]5[n:24][cH:25][n:26][c:27]([NH2:29])[c:28]45)[cH:18][cH:19]3)[CH2:9]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

参加物

5

反応物 4

HCID 1049PyridineHCID 6344DichloromethaneHCID 523092Cyclopropanecarbonyl chloride, 2-phenyl-HCID 223470163-(4-amino-3-methoxyphenyl)-1-(1-methyl-4-piperidyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

生成物 1

HCID 22346805N-[4-[4-amino-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-2-phenylcyclopropane-1-carboxamide

出典と根拠

ORDレコード
ord-78429ab19362454e9ded95a6dd84aa90
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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