乙二醇二甲醚 → 2-Amino-4-(3,4-dimethyl-benzylamino)-6-pyrazol-1-yl-pyrimidine-5-carbonitrile

HRID 307881

反应方程式

HRID 307881 反应方程式
[CH3:18][c:19]1[cH:20][c:21]([CH2:22][NH2:23])[cH:24][cH:25][c:26]1[CH3:27].[CH3:28][O:29][CH2:30][CH2:31][O:32][CH3:33].[NH2:1][c:2]1[n:3][c:4](-[n:13]2[n:14][cH:15][cH:16][cH:17]2)[c:5]([C:11]#[N:12])[c:6]([S:8]([CH3:9])=[O:10])[n:7]1>>[NH2:1][c:2]1[n:3][c:4](-[n:13]2[n:14][cH:15][cH:16][cH:17]2)[c:5]([C:11]#[N:12])[c:6]([NH:23][CH2:22][c:21]2[cH:20][c:19]([CH3:18])[c:26]([CH3:27])[cH:25][cH:24]2)[n:7]1

参与物

4

反应物 3

HCID 8071乙二醇二甲醚HCID 668883,4-二甲基苄胺HCID 185075202-Amino-4-methanesulfinyl-6-pyrazol-1-yl-pyrimidine-5-carbonitrile

产物 1

HCID 185077052-Amino-4-(3,4-dimethyl-benzylamino)-6-pyrazol-1-yl-pyrimidine-5-carbonitrile

来源与证据

ORD记录
ord-b27d9dc3e6f9429c866ae805f3e4ae76
来源数据集
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

关联笔记

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