HRID93269

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID79434

5-Pyrimidinamine, 4,6-dichloro-

C4H3Cl2N3

HCID81531

Diisopropylethylamine

C8H19N

HCID59210370

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1cc(CN2CCC(Nc3ncnc(Cl)c3N)CC2)cc(OC(C)C)c1

HCID86618537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2d471dae074454f8a65020837b757d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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