Sodium ion → 4-[4-(1-tert-butoxy carbonylamino-1-methylethyl)phenyl]-5-chloro-N-(4-(1-imidazolyl)-phenyl]pyrimidine-2-amine

HRID 144191

反応式

HRID 144191 の反応式
[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[NH:10][C:11]([CH3:12])([CH3:13])[c:14]1[cH:15][cH:16][c:17](-[c:20]2[n:21][c:22]([Cl:27])[n:23][cH:24][c:25]2[Cl:26])[cH:18][cH:19]1.[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[H-:1].[NH2:28][c:29]1[cH:30][cH:31][c:32](-[n:35]2[cH:36][n:37][cH:38][cH:39]2)[cH:33][cH:34]1.[Na+:2]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[NH:10][C:11]([CH3:12])([CH3:13])[c:14]1[cH:15][cH:16][c:17](-[c:20]2[n:21][c:22]([NH:28][c:29]3[cH:30][cH:31][c:32](-[n:35]4[cH:36][n:37][cH:38][cH:39]4)[cH:33][cH:34]3)[n:23][cH:24][c:25]2[Cl:26])[cH:18][cH:19]1

参加物

6

反応物 5

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 166653HydrideHCID 3201654-(1H-imidazol-1-yl)anilineHCID 181832304-[4-(1-Tert-butoxycarbonylamino-1-methylethyl)phenyl]-2,5-dichloropyrimidine

生成物 1

HCID 181832294-[4-(1-tert-butoxy carbonylamino-1-methylethyl)phenyl]-5-chloro-N-(4-(1-imidazolyl)-phenyl]pyrimidine-2-amine

出典と根拠

ORDレコード
ord-47edfe94cd8e4d1a90d72c047aa7e479
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

関連ノート

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