HRID115491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID4460490

tert-butyl N-(3-bromopropyl)carbamate

C8H16BrNO2

HCID4574913

未命名化合物

结构：CCOC(=O)c1n[nH]c2c1CCc1cnc(Nc3ccccc3)nc1-2

HCID178470474

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c2c(nn1CCCNC(=O)OC(C)(C)C)-c1nc(Nc3ccccc3)ncc1CC2

HCID68931717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ce8a8752a7e4748af5d5a67a4f25d65
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:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37](=[O:38])[NH:39][CH2:40][CH2:41][CH2:42][Br:43].[CH3:26][C:27]([CH3:28])([O-:29])[CH3:30].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[Li+:31].[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][c:10]2[c:15]([cH:16][n:17]1)[CH2:14][CH2:13][c:12]1[c:11]-2[nH:20][n:19][c:18]1[C:21](=[O:22])[O:23][CH2:24][CH3:25].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][c:10]2[c:15]([cH:16][n:17]1)[CH2:14][CH2:13][c:12]1[c:11]-2[n:20][n:19]([CH2:42][CH2:41][CH2:40][NH:39][C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:38])[c:18]1[C:21](=[O:22])[O:23][CH2:24][CH3:25]