HRID289290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID2756485

tert-Butyl 3-(aminomethyl)pyrrolidine-1-carboxylate

C10H20N2O2

HCID59028243

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CNc2ccnc(Nc3cccc(Cl)c3)n2)C1

HCID178451970

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e09e8f0a9e940e1b2b79871260bddc8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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