HRID2154600

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID2756041

4-(N-Boc-aminomethyl)aniline

C12H18N2O2

HCID18422098

6-Chloropyrimidine-4-carbonyl chloride

C5H2Cl2N2O

HCID59446876

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2cc(Cl)ncn2)cc1

HCID59447092

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccb3c10fded642cfa30dc2d53f4a7e39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33]([NH:34][CH2:35][c:36]1[cH:37][cH:38][c:39]([NH2:42])[cH:40][cH:41]1)=[O:43].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:11][c:12]1[n:13][cH:14][n:15][c:16]([C:17]([NH:18][c:19]2[cH:20][cH:21][c:22]([OH:23])[cH:24][cH:25]2)=[O:26])[cH:27]1.[Cl:1][c:2]1[cH:3][c:4]([C:8](=[O:9])[Cl:10])[n:5][cH:6][n:7]1.[Cl:53][CH2:54][Cl:55]>>[Cl:1][c:2]1[cH:3][c:4]([C:8](=[O:9])[NH:42][c:39]2[cH:38][cH:37][c:36]([CH2:35][NH:34][C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:43])[cH:41][cH:40]2)[n:5][cH:6][n:7]1